NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.8934 8.4104 110.3379 62.5341 70.2220 172.0524 4 A 3.7496 8.6971 127.1337 52.8081 16.9842 177.3714 5 Y 4.4431 8.1986 110.7475 58.2046 39.6270 174.3766 6 D 4.6327 7.8235 119.8061 55.3180 41.8494 178.2783 7 V 3.7202 7.4370 119.8824 65.7632 32.1494 175.4076 8 I 4.0298 7.5672 121.0607 61.5126 37.0572 174.4555 9 L 4.5483 9.2283 128.6027 55.6341 41.8945 177.6301 10 A 5.1390 7.9892 117.9396 50.0967 23.7672 171.8347 11 P 4.8549 0.0000 0.0000 63.3856 33.9003 177.3650 12 V 2.1419 8.2238 106.7970 60.5074 32.1021 177.2846 13 L 3.6052 9.7388 122.4220 55.0539 38.3048 173.7615 14 S 4.3796 5.8854 111.0489 56.2512 65.7514 177.6487 15 E 3.8263 8.4909 122.1082 59.8627 28.9392 179.6635 16 K 3.7274 7.8344 116.9680 59.4007 32.4558 178.0463 17 A 3.7659 7.3061 120.7565 55.2251 18.1260 179.0267 18 Y 2.5778 6.7288 113.7732 60.9958 37.8035 178.8480 19 A 3.9599 7.4301 120.1502 54.8473 18.6783 178.9393 20 G 3.7691 7.6758 102.2163 45.2800 0.0000 175.8232 21 F 3.9756 8.9199 120.5326 60.1916 39.3086 176.5053 22 A 4.0891 8.2642 122.8220 55.3008 18.0088 177.7090 23 E 4.3496 7.8206 112.4338 55.5744 31.7575 176.7230 24 G 4.0247 8.2846 105.8896 46.5126 0.0000 175.2181 25 K 5.0947 7.9248 117.9919 54.9567 34.3513 177.0149 26 Y 4.9063 8.7671 123.3076 56.0868 40.9877 175.1790 27 T 5.0680 8.1921 112.6549 59.9066 71.9441 172.8162 28 F 5.1914 9.4894 123.0329 55.2830 43.4581 174.1265 29 W 5.1925 9.0384 120.7626 56.5818 30.3050 176.2046 30 V 5.0762 9.2011 116.7444 59.4754 35.9582 174.5197 31 H 4.2886 9.1939 122.5255 56.5276 29.8637 174.3197 32 P 3.7258 0.0000 0.0000 65.7763 31.1526 177.1224 33 K 4.1644 7.5026 115.2653 56.5209 32.5628 176.8526 34 A 4.9071 8.4198 123.6850 52.1975 18.9692 177.9653 35 T 4.4718 8.4207 118.4457 62.1953 71.4649 176.2722 36 K 3.8747 8.6093 122.6772 60.2223 32.0658 179.7866 37 T 3.8258 7.7924 115.1296 66.6738 68.5478 176.2726 38 E 3.9179 8.1852 119.9397 59.5433 29.4197 179.2584 39 I 3.6476 7.8717 119.5966 65.1655 37.2587 177.4405 40 K 3.6447 8.1541 118.2984 60.3761 31.7316 177.5697 41 N 4.1695 8.4756 116.0920 56.6141 38.7757 177.3949 42 A 3.7753 7.9594 121.8716 55.1174 18.6020 179.9464 43 V 3.4208 8.4431 117.2356 65.7376 31.3834 178.2061 44 E 3.9452 8.2565 118.9450 59.5307 29.2919 178.9409 45 T 4.0394 7.6893 106.5662 63.1720 68.8656 174.9400 46 A 4.3890 7.2197 122.7666 52.3273 20.4690 176.7300 47 F 4.7596 7.7214 116.0926 62.1152 40.8673 176.6742 48 K 4.8275 6.8925 115.4186 59.4361 28.3727 173.1020 49 V 4.4841 7.3773 114.3838 59.4430 35.3365 176.0039 50 K 4.5552 9.8024 122.9689 54.8854 32.8053 174.9643 51 V 4.2063 8.3915 127.5834 62.8857 31.3795 175.5673 52 V 4.3242 8.6085 127.5920 63.3495 33.6637 175.5830 53 K 4.4990 7.6365 119.2039 55.4120 35.4995 174.0305 54 V 4.9371 8.5522 126.5911 61.1740 34.3568 174.0820 55 N 5.3137 9.0671 124.5115 51.6987 41.8236 173.5947 56 T 5.2995 8.3229 111.5295 60.2943 72.6041 172.8825 57 L 4.5728 8.2630 120.5218 55.1118 43.9655 174.3439 58 H 4.8969 8.8583 118.9697 55.7303 30.2450 175.3524 59 V 4.3552 9.5646 121.8809 60.7444 33.7081 174.6416 60 R 4.4294 8.2669 128.2646 56.0357 30.5706 176.1313 61 G 4.3190 8.5986 112.3662 45.1926 0.0000 173.4440 62 K 4.4689 8.6008 123.0151 55.7717 33.8019 176.1305 63 K 4.6758 8.5756 123.5705 56.0189 33.7452 176.2520 64 K 4.5688 8.3801 125.1268 54.8420 35.3138 174.9170 65 R 4.9483 8.0639 119.9819 55.2683 33.1783 174.1335 66 L 4.9988 8.1654 121.8722 55.6202 45.1877 174.7513 67 G 3.9617 7.9183 115.3661 44.6932 0.0000 172.4452 68 R 4.0575 8.1638 119.0239 56.6533 29.8864 176.1117 69 Y 4.4153 7.3382 117.0709 56.8572 37.6341 173.9961 70 L 4.6731 8.2438 126.9635 53.3709 44.0223 175.5860 71 G 4.2382 8.5394 111.0091 45.7362 0.0000 171.4388 72 K 5.0189 8.4695 117.7570 54.5718 35.8672 176.6986 73 R 4.5146 8.6696 122.1703 54.3402 31.9118 174.2243 74 P 4.4621 0.0000 0.0000 63.8093 31.6170 175.4348 75 D 4.6978 8.6379 121.3579 54.3257 42.4165 175.4527 76 R 4.8291 8.9478 120.2390 54.3429 35.2790 173.9714 77 K 5.3094 8.6818 119.9832 54.7978 35.9574 174.7520 78 K 5.2936 9.1442 125.5633 55.0497 35.8932 174.8159 79 A 5.1701 8.9240 123.8651 50.1222 22.8216 174.8948 80 I 4.8341 8.9110 121.3051 59.4315 40.7169 174.6062 81 V 4.7589 9.0581 124.4521 60.2776 33.4907 175.0300 82 Q 5.0267 9.3581 127.5883 55.1259 30.2954 174.7169 83 V 4.6220 8.7823 127.1185 61.4425 33.2796 175.3792 84 A 4.2547 9.0041 128.3438 51.5075 19.5965 175.4813 85 P 4.4194 0.0000 0.0000 64.1651 31.6521 175.5170 86 G 4.1044 9.0813 111.6658 45.8900 0.0000 173.7773 87 Q 4.4337 7.5536 117.7684 54.9492 30.1061 174.3756 88 K 4.4570 7.9262 116.2248 56.6502 34.8887 175.7290 89 I 3.9572 6.9874 121.5922 59.1667 36.6394 176.5468 90 E 3.7499 8.6276 125.3312 59.4499 29.7198 179.6900 91 A 3.9641 8.1698 119.4268 55.5854 18.1740 179.0461 92 L 4.3429 7.3898 112.2223 55.3949 41.1062 178.1599 93 E 4.4559 7.7268 121.8670 53.7169 27.8201 174.4619 94 G 3.7101 7.7453 118.3629 46.5141 0.0000 171.8099 *95 L 4.1219 7.8872 125.2781 53.5994 41.6291 178.8495 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 3 T 8.41 4.89 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 1.20 0.00 0.00 4 A 8.70 3.75 0.97 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 0.00 0.00 0.00 0.00 0.00 5 Y 8.20 4.44 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.82 4.63 0.00 2.69 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 7 V 7.44 3.72 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 0.97 0.00 0.00 0.89 0.00 0.00 8 I 7.57 4.03 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 1.06 0.31 0.93 0.00 0.00 9 L 9.23 4.55 0.00 1.84 1.74 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.99 5.14 1.47 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 11 P 0.00 4.85 0.00 2.12 2.21 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 12 V 8.22 2.14 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 1.04 0.00 0.00 13 L 9.74 3.61 0.00 1.92 1.91 1.14 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 S 5.89 4.38 0.00 3.77 3.75 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 15 E 8.49 3.83 0.00 2.00 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 2.39 2.45 0.00 16 K 7.83 3.73 0.00 1.62 1.67 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.41 7.81 17 A 7.31 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.73 2.58 0.00 2.73 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 A 7.43 3.96 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 20 G 7.68 3.77 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 0.00 0.00 0.00 21 F 8.92 3.98 0.00 2.75 2.91 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 0.00 0.00 0.00 0.00 22 A 8.26 4.09 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 23 E 7.82 4.35 0.00 1.94 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 2.28 2.28 0.00 24 G 8.28 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 25 K 7.92 5.09 0.00 1.75 1.71 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 26 Y 8.77 4.91 0.00 3.00 2.48 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 27 T 8.19 5.07 4.14 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 0.00 0.00 0.00 1.05 0.00 0.00 28 F 9.49 5.19 0.00 3.02 3.21 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 29 W 9.04 5.19 0.00 3.40 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 30 V 9.20 5.08 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 0.85 0.00 0.00 1.08 0.00 0.00 31 H 9.19 4.29 0.00 3.43 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.85 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 3.73 0.00 2.24 2.26 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 33 K 7.50 4.16 0.00 1.59 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81 34 A 8.42 4.91 1.27 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 0.00 0.00 0.00 35 T 8.42 4.47 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 1.23 0.00 0.00 36 K 8.61 3.87 0.00 1.76 1.89 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.50 7.81 37 T 7.79 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 1.20 0.00 0.00 38 E 8.19 3.92 0.00 2.13 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 2.39 2.41 0.00 39 I 7.87 3.65 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.17 0.94 0.00 0.00 40 K 8.15 3.64 0.00 1.93 1.95 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 41 N 8.48 4.17 0.00 2.78 2.82 0.00 0.00 7.11 7.42 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 42 A 7.96 3.78 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 43 V 8.44 3.42 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 1.17 0.00 0.00 0.86 0.00 0.00 44 E 8.26 3.95 0.00 2.17 1.94 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 2.44 2.50 0.00 45 T 7.69 4.04 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 1.17 0.00 0.00 46 A 7.22 4.39 0.50 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 0.00 0.00 47 F 7.72 4.76 0.00 3.08 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 48 K 6.89 4.83 0.00 1.83 2.10 0.00 1.74 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.43 7.81 49 V 7.38 4.48 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 0.71 0.00 0.00 1.05 0.00 0.00 50 K 9.80 4.56 0.00 1.76 1.70 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 51 V 8.39 4.21 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 0.85 0.00 0.00 1.02 0.00 0.00 52 V 8.61 4.32 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 0.81 0.00 0.00 1.01 0.00 0.00 53 K 7.64 4.50 0.00 1.81 1.60 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.36 7.81 54 V 8.55 4.94 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 0.92 0.00 0.00 0.97 0.00 0.00 55 N 9.07 5.31 0.00 2.70 2.65 0.00 0.00 6.21 6.33 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 56 T 8.32 5.30 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 1.23 0.00 0.00 57 L 8.26 4.57 0.00 1.71 1.76 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.86 4.90 0.00 3.12 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.56 4.36 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.16 0.00 0.00 60 R 8.27 4.43 0.00 1.88 1.85 0.00 3.12 0.00 0.00 3.90 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 61 G 8.60 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 0.00 0.00 0.00 0.00 62 K 8.60 4.47 0.00 1.72 1.73 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.44 7.81 63 K 8.58 4.68 0.00 1.85 1.84 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.46 7.81 64 K 8.38 4.57 0.00 1.68 1.78 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.36 7.81 65 R 8.06 4.95 0.00 1.71 1.78 0.00 3.32 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 66 L 8.17 5.00 0.00 1.66 1.63 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.16 4.06 0.00 1.61 1.83 0.00 2.56 0.00 0.00 2.46 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.00 69 Y 7.34 4.42 0.00 3.40 2.97 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 0.00 0.00 0.00 70 L 8.24 4.67 0.00 1.59 1.54 0.92 1.03 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 71 G 8.54 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 0.00 0.00 0.00 0.00 72 K 8.47 5.02 0.00 1.58 1.67 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.49 7.81 73 R 8.67 4.51 0.00 1.84 1.78 0.00 3.13 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 74 P 0.00 4.46 0.00 2.00 2.04 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 75 D 8.64 4.70 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.95 4.83 0.00 1.61 1.80 0.00 2.72 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.40 0.00 77 K 8.68 5.31 0.00 1.87 1.68 0.00 1.57 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.47 7.81 78 K 9.14 5.29 0.00 1.52 1.45 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.18 7.81 79 A 8.92 5.17 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 80 I 8.91 4.83 1.82 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 1.24 1.72 0.92 0.00 0.00 81 V 9.06 4.76 2.27 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 0.88 0.00 0.00 1.44 0.00 0.00 82 Q 9.36 5.03 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 83 V 8.78 4.62 2.22 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 0.88 0.00 0.00 1.06 0.00 0.00 84 A 9.00 4.25 1.33 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 0.00 0.00 85 P 0.00 4.42 0.00 2.20 2.11 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 86 G 9.08 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.55 4.43 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 88 K 7.93 4.46 0.00 1.90 1.81 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.29 1.53 7.81 89 I 6.99 3.96 0.69 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.21 0.16 0.00 0.00 90 E 8.63 3.75 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 2.38 2.29 0.00 91 A 8.17 3.96 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 92 L 7.39 4.34 0.00 1.43 1.42 0.61 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.73 4.46 0.00 2.04 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 2.37 2.35 0.00 94 G 7.75 3.71 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 0.00 0.00 0.00 *95 L 7.89 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.