NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6260 8.2233 120.1964 53.3833 42.2896 175.4819 7 P 4.0535 0.0000 0.0000 65.0087 31.3011 177.2570 8 F 4.0484 9.1482 120.2640 61.6852 39.6913 176.6891 9 Q 4.0020 8.5988 117.4419 58.9594 28.4046 178.6860 10 Q 3.9150 8.0861 120.6049 59.0864 29.0768 178.4935 11 V 3.4596 7.8202 119.3128 65.8412 31.4778 178.0132 12 V 3.3504 7.4097 117.9080 65.9680 31.2187 177.4610 13 K 3.8014 7.9921 119.0874 59.9683 31.9695 178.1983 14 D 4.3322 8.3806 118.9259 57.6715 40.6982 179.3556 15 T 3.7802 8.1059 116.1317 66.6627 68.5378 176.2713 16 K 3.8070 8.0777 121.4281 59.9749 32.2007 177.7716 17 E 3.9344 8.5114 118.5244 59.8117 29.5467 179.5193 18 Q 3.9702 8.3931 119.5575 59.1400 29.0495 178.2445 19 L 4.0010 8.3320 120.4921 57.8871 41.5728 179.2180 20 N 4.3529 8.2661 116.4485 56.1953 38.3674 177.7458 21 R 3.9309 7.8875 119.0137 59.3787 30.1487 179.0750 22 I 3.7129 7.6799 119.5347 64.2941 37.0521 177.8400 23 N 4.2875 8.3591 117.8581 57.0476 38.8527 176.3663 24 N 4.2942 8.4120 117.8813 56.7765 38.6315 176.7477 25 Y 4.0611 8.2565 120.7397 60.7708 38.8166 178.1363 26 I 3.7782 8.2721 121.0365 64.4593 37.0688 178.5839 27 T 3.8655 8.0953 116.6495 66.8619 68.3891 176.9518 28 R 3.8190 7.9969 119.8211 59.4605 29.8194 178.6180 29 H 4.2123 7.7747 114.5723 57.8032 28.8773 177.2207 30 N 4.4919 8.5378 118.9780 56.4191 38.4369 177.1389 31 T 4.0062 8.0338 110.4027 63.6604 69.0647 176.3160 32 A 3.7961 7.9912 121.7473 53.9892 18.3141 177.9634 *38 E 4.2980 8.8283 120.1581 54.9118 32.7574 177.0434 39 E 3.9837 7.9823 118.2928 59.2773 29.6157 178.6793 40 E 3.9657 8.0576 118.3345 59.2539 29.5185 179.1674 41 I 3.6464 7.6194 119.7000 64.2498 37.2705 178.1379 42 Q 3.9758 8.1217 118.5551 59.4563 28.2296 178.6611 43 D 4.2687 7.9890 120.3607 57.1885 40.8639 178.6005 44 I 3.6716 7.8367 120.3566 64.6094 37.0242 178.5216 45 L 3.9818 8.1845 119.7721 57.6024 41.4133 179.6851 46 K 3.9473 8.0849 118.5884 59.4522 31.9752 178.9835 47 D 4.3251 8.0913 119.1566 57.4431 40.7055 179.1272 48 V 3.5663 7.9681 118.7005 65.9392 31.4642 177.6581 49 E 3.9250 8.3624 118.5875 59.5115 29.3622 179.0434 50 E 3.8921 8.0912 118.9241 59.6724 29.7592 178.7390 51 T 3.8729 7.9417 115.6907 66.9734 68.4351 176.5940 52 I 3.7606 8.0009 121.5813 64.4429 37.1729 178.9300 53 V 3.6369 8.0612 113.3814 64.4404 31.3031 178.4103 54 D 4.4009 8.1985 118.8692 57.1245 40.7223 178.6445 55 L 4.1187 8.0393 119.5855 57.9588 41.7336 179.2183 56 D 4.4341 8.3874 118.9228 57.6375 40.7211 179.2069 57 R 3.9967 8.2070 118.7133 59.2052 30.1082 179.3154 58 S 4.1599 8.3189 114.1975 61.2683 62.9819 176.7350 59 I 3.5746 7.7655 123.1567 64.2288 36.9195 178.0943 60 I 3.6643 7.5732 120.4688 64.7473 36.9184 178.5783 61 V 3.6194 8.0272 118.8172 66.1368 31.2332 177.7848 62 M 3.9880 7.8836 117.9273 58.3558 32.0966 178.3264 63 K 3.9045 8.1632 118.7750 59.3461 32.2234 179.1364 64 R 3.8569 7.9796 118.7953 59.7752 30.0155 178.2403 65 D 4.3942 8.3304 118.7516 57.5140 40.7238 178.8545 66 E 3.9780 8.2114 119.0769 59.3138 29.4030 178.9461 67 N 4.3194 8.2968 116.6148 56.4009 38.5295 177.3207 68 E 3.9837 8.2624 120.0466 59.3011 29.4519 179.0640 69 D 4.3274 8.3050 119.1566 57.3086 40.8107 178.8363 70 V 3.5389 7.9661 118.6909 66.1040 31.5362 177.8210 71 S 4.4423 7.8373 116.6734 61.0585 62.8346 177.2470 72 G 3.6380 8.2062 107.8739 47.9663 0.0000 175.9071 73 R 4.0879 8.2364 120.8752 58.9160 30.1392 178.8538 74 E 3.9430 8.5021 118.5044 59.5311 29.6008 179.2604 75 A 4.1097 8.1801 120.6490 55.3168 18.4676 179.7259 76 Q 3.9319 8.0412 116.3534 59.1497 28.7770 179.2326 77 V 3.5936 7.9009 119.2722 65.8507 31.5438 178.0163 78 K 3.9397 8.3125 119.5426 59.3653 31.8748 178.3453 79 N 4.3334 8.0476 117.4002 56.4824 38.8208 177.0524 80 I 3.7038 7.7389 121.2162 64.0839 37.2019 178.2797 81 K 3.8535 8.1561 119.4767 59.7066 31.8824 178.9885 82 Q 3.9761 8.2051 119.5246 59.3697 28.9438 178.3811 83 Q 3.9686 8.3727 119.2807 58.7521 28.7139 178.3849 84 L 3.9287 8.3294 121.7652 58.4134 42.1160 178.9076 85 D 4.3159 8.2424 118.4018 57.2983 40.7367 178.4887 86 A 4.0176 8.2361 121.5090 55.2245 18.2758 179.4706 87 L 3.9626 8.0251 118.7615 58.0440 41.8954 179.4649 88 K 3.9567 8.0282 117.7868 59.3077 32.3776 178.5077 89 L 4.3731 7.8416 121.9604 57.7035 41.7293 179.0926 90 R 3.9121 8.0027 117.0640 59.4041 30.0858 177.8145 91 F 4.0122 8.4028 119.7730 61.2029 39.6529 175.0825 92 D 4.7461 8.2418 122.8980 54.6050 40.4746 175.9533 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 6 D 8.22 4.63 0.00 2.81 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 7 P 0.00 4.05 0.00 2.34 2.14 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 8 F 9.15 4.05 0.00 3.15 3.28 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 9 Q 8.60 4.00 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 10 Q 8.09 3.91 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 11 V 7.82 3.46 1.88 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 0.83 0.00 0.00 0.92 0.00 0.00 12 V 7.41 3.35 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 0.93 0.00 0.00 0.27 0.00 0.00 13 K 7.99 3.80 0.00 1.93 1.93 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 14 D 8.38 4.33 0.00 2.67 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 15 T 8.11 3.78 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 1.17 0.00 0.00 16 K 8.08 3.81 0.00 1.99 2.01 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 17 E 8.51 3.93 0.00 2.19 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 2.33 2.33 0.00 18 Q 8.39 3.97 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 19 L 8.33 4.00 0.00 1.86 1.70 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.27 4.35 0.00 2.94 2.88 0.00 0.00 7.04 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 21 R 7.89 3.93 0.00 2.05 1.99 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 22 I 7.68 3.71 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.79 0.92 0.00 0.00 23 N 8.36 4.29 0.00 3.01 2.95 0.00 0.00 7.23 6.30 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 24 N 8.41 4.29 0.00 2.96 2.91 0.00 0.00 6.76 8.08 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 25 Y 8.26 4.06 0.00 3.17 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 26 I 8.27 3.78 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.00 0.94 0.00 0.00 27 T 8.10 3.87 4.40 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 1.20 0.00 0.00 28 R 8.00 3.82 0.00 1.69 1.82 0.00 3.08 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 29 H 7.77 4.21 0.00 2.92 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.54 4.49 0.00 2.88 2.86 0.00 0.00 7.01 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 31 T 8.03 4.01 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 1.28 0.00 0.00 32 A 7.99 3.80 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 *38 E 8.83 4.30 0.00 2.06 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 2.28 2.32 0.00 39 E 7.98 3.98 0.00 2.07 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 2.36 2.40 0.00 40 E 8.06 3.97 0.00 2.01 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 2.35 2.42 0.00 41 I 7.62 3.65 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.92 0.91 0.00 0.00 42 Q 8.12 3.98 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 43 D 7.99 4.27 0.00 2.88 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 44 I 7.84 3.67 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.87 0.00 0.00 45 L 8.18 3.98 0.00 1.82 1.71 0.92 1.24 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 46 K 8.08 3.95 0.00 1.96 1.85 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 47 D 8.09 4.33 0.00 2.89 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 48 V 7.97 3.57 2.17 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 1.08 0.00 0.00 0.96 0.00 0.00 49 E 8.36 3.92 0.00 2.21 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 2.33 2.33 0.00 50 E 8.09 3.89 0.00 2.05 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 0.00 2.30 2.35 0.00 51 T 7.94 3.87 4.38 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 1.17 0.00 0.00 52 I 8.00 3.76 1.99 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 1.50 0.72 0.92 0.00 0.00 53 V 8.06 3.64 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 0.88 0.00 0.00 0.99 0.00 0.00 54 D 8.20 4.40 0.00 2.89 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 55 L 8.04 4.12 0.00 1.92 1.83 0.78 0.59 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 56 D 8.39 4.43 0.00 2.88 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 57 R 8.21 4.00 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 58 S 8.32 4.16 0.00 4.15 4.31 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 0.00 0.00 0.00 0.00 59 I 7.77 3.57 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.86 0.00 0.00 60 I 7.57 3.66 2.04 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 1.41 1.04 0.91 0.00 0.00 61 V 8.03 3.62 2.21 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 1.08 0.00 0.00 0.98 0.00 0.00 62 M 7.88 3.99 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 63 K 8.16 3.90 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 64 R 7.98 3.86 0.00 2.00 2.06 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 65 D 8.33 4.39 0.00 2.70 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 66 E 8.21 3.98 0.00 2.08 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 2.30 2.44 0.00 67 N 8.30 4.32 0.00 2.96 2.86 0.00 0.00 7.01 7.17 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 68 E 8.26 3.98 0.00 2.16 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 2.32 2.34 0.00 69 D 8.30 4.33 0.00 2.83 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 70 V 7.97 3.54 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 1.16 0.00 0.00 0.98 0.00 0.00 71 S 7.84 4.44 0.00 4.09 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 72 G 8.21 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.24 4.09 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 74 E 8.50 3.94 0.00 2.15 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 2.45 0.00 75 A 8.18 4.11 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.04 3.93 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 77 V 7.90 3.59 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 0.99 0.00 0.00 0.98 0.00 0.00 78 K 8.31 3.94 0.00 1.85 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 79 N 8.05 4.33 0.00 2.84 2.94 0.00 0.00 7.12 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 80 I 7.74 3.70 2.01 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 1.52 0.41 0.91 0.00 0.00 81 K 8.16 3.85 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 82 Q 8.21 3.98 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 83 Q 8.37 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 84 L 8.33 3.93 0.00 1.79 1.88 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.24 4.32 0.00 2.87 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 86 A 8.24 4.02 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 87 L 8.03 3.96 0.00 1.93 1.88 0.98 0.89 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 88 K 8.03 3.96 0.00 1.94 1.86 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.54 7.81 89 L 7.84 4.37 0.00 1.79 1.86 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.00 3.91 0.00 2.04 2.12 0.00 3.34 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 91 F 8.40 4.01 0.00 3.26 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 92 D 8.24 4.75 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.