NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2729 8.3645 123.5816 51.4798 20.2363 177.6109 5 K 3.8604 8.2912 121.2501 56.0079 32.2558 178.2932 6 K 4.5862 9.0089 125.5053 52.0111 34.4668 174.3013 7 L 4.2115 8.1846 119.3261 55.2318 42.1444 178.3886 8 S 4.4158 8.4511 118.7787 57.3125 65.3596 173.2561 9 P 4.1764 0.0000 0.0000 65.9227 31.0820 178.7391 10 A 3.9854 7.9495 118.8251 55.3679 18.3179 179.2983 11 D 4.3194 8.1561 117.3561 57.3040 40.7783 179.1423 12 K 3.9274 8.2465 119.1930 59.4424 32.0116 179.1642 13 L 3.9057 8.0459 120.6127 57.9453 41.9687 178.9231 14 K 3.9523 8.1396 119.6938 59.4358 31.8992 178.6850 15 N 4.3149 8.1071 115.8980 56.3731 38.5970 177.1435 16 I 3.8388 7.7238 120.0369 64.5440 37.4177 178.2524 17 S 4.3634 8.3081 116.1041 61.6209 62.6542 177.9652 18 S 4.4316 7.9669 116.4533 58.6737 62.5263 176.4512 *20 L 4.2333 7.9108 123.2494 54.8845 43.5751 179.0914 21 E 3.9693 8.4176 118.9930 59.0631 29.1757 178.3349 22 E 3.9630 7.9582 118.9253 59.2154 29.9926 178.7067 23 I 3.9156 7.6371 119.3897 64.3627 37.1967 178.3076 24 V 3.6365 7.6809 117.7130 65.3975 31.3651 176.8878 25 E 4.6051 7.9815 115.6964 55.8006 31.0360 177.0344 26 D 4.6165 7.6040 119.3839 53.2366 39.5457 175.9977 27 T 3.9340 8.0825 118.3166 63.7320 67.8470 175.0672 28 T 3.9686 7.8050 114.4609 64.5903 67.7064 174.1410 29 V 4.0077 7.6816 121.6113 61.1827 32.5449 174.3855 30 P 4.3172 0.0000 0.0000 62.6462 32.9876 177.1157 31 R 3.8678 8.7468 122.2162 60.0031 29.9447 178.5174 32 N 4.4264 8.1340 115.8679 55.9701 37.3390 177.1149 33 I 3.7604 7.6743 121.6804 64.1363 37.3421 178.2559 34 R 3.9000 7.9955 118.7520 59.2214 29.9144 178.8053 35 A 3.9377 8.4137 120.6464 55.2307 18.3516 179.5620 36 A 3.8540 8.0315 118.8982 55.2648 18.3722 179.7788 37 A 3.9332 8.1242 119.3333 55.2476 18.3450 179.3960 38 D 4.2075 8.1611 116.6802 57.2501 41.1550 178.2854 39 N 3.9822 8.0897 117.0267 55.8924 38.3367 177.1171 40 A 4.0175 7.7519 122.1325 54.9889 18.2704 179.3986 41 K 3.8241 7.9719 117.0133 60.0408 32.7174 178.4420 42 N 4.4665 8.5024 116.6505 56.1191 38.3922 177.2031 43 A 4.1107 8.3623 122.6900 55.2240 18.3186 179.4067 44 L 4.2001 7.7729 115.1607 56.7538 41.6430 177.6497 45 H 4.6870 7.5004 114.7929 55.2551 29.4118 174.0167 46 N 4.5212 7.9654 119.9932 53.3190 37.6317 175.5107 47 E 4.1869 8.5945 125.6499 58.3136 29.8326 177.9380 48 E 4.3368 8.4717 117.3145 56.8009 29.8972 176.3129 49 Q 4.6812 7.6385 117.3564 53.4256 32.3851 175.7667 50 E 4.3008 8.3824 119.9908 55.5247 31.7472 177.8041 51 L 3.9594 8.4513 122.1630 58.6298 42.1013 179.3387 52 I 3.7403 7.6929 112.2176 63.6017 37.6412 178.2814 53 V 3.6119 7.6792 119.9084 65.7754 31.4750 177.8849 54 R 3.9432 8.0360 117.8369 59.4867 29.8316 179.2568 55 S 4.1021 8.3629 114.7580 61.5388 62.8407 176.5863 56 A 3.9911 7.9502 123.3588 55.3905 18.2203 179.8323 57 T 3.7079 7.9391 113.9928 66.7284 68.5884 176.7642 58 A 4.2322 8.2508 122.7186 55.3179 18.4421 179.5552 59 I 3.6917 8.1105 118.6877 64.7187 37.1890 178.4680 60 Q 3.9598 8.0949 120.2394 59.3026 28.4826 177.7109 61 Y 4.2105 7.8153 117.3699 61.1484 37.6881 178.7337 62 L 4.0841 7.9590 118.7174 57.9553 41.9275 178.8836 63 D 4.5455 8.7408 119.1674 57.5017 40.8701 178.5747 64 D 4.3791 8.2592 119.3501 57.4145 40.8164 178.4556 65 I 4.0373 7.6207 117.6160 63.0549 37.8958 177.5104 66 S 4.2626 7.5734 114.9288 60.6990 62.7170 175.2809 67 E 4.2570 7.5596 119.2687 56.3769 29.7422 176.3376 68 D 4.4459 7.7111 120.2686 53.5043 41.6617 174.6405 69 P 4.3282 0.0000 0.0000 64.4921 31.6668 175.9029 70 N 4.7471 8.1795 115.9956 50.8660 40.0336 173.0936 *72 P 4.2061 0.0000 0.0000 61.9372 34.1280 177.4102 73 I 3.7234 8.2776 122.1063 65.0229 37.0900 178.4631 74 H 4.3033 8.1612 115.3211 59.0037 28.4492 177.7313 75 T 4.2985 7.3655 119.3120 65.8097 68.3848 176.4380 76 R 3.9643 8.0339 120.6527 59.7921 30.0938 178.7576 77 T 4.1092 7.9098 115.0124 66.6859 68.3609 176.4837 78 Q 4.0243 8.1564 119.9673 59.3250 28.8463 179.2092 79 I 3.7338 8.3012 120.8401 64.2000 37.0805 178.1451 80 W 4.4962 8.5373 129.2683 60.5819 30.4932 178.2728 81 G 3.1489 8.0696 105.3994 47.6052 0.0000 175.7431 82 I 3.6550 7.7259 122.4696 63.9938 37.1667 178.6819 83 V 3.5640 8.1964 119.3060 66.2247 31.1762 178.0741 84 S 4.2324 7.7943 113.5751 61.7192 62.9878 176.4033 85 E 4.0318 8.1387 121.0532 59.3663 29.2815 179.1367 86 L 3.9801 8.1170 119.2848 58.1301 41.5192 179.4355 87 E 4.1518 8.1435 116.8149 58.6285 29.4934 178.6571 88 T 4.2696 7.4745 108.5209 62.1808 69.2203 174.7467 89 I 3.9259 7.1611 123.6664 61.0631 37.2149 175.3468 90 K 4.6117 8.3355 123.6761 55.1609 36.1685 176.1855 91 N 4.6312 8.8319 116.4687 53.6596 37.8516 174.7063 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 4 A 8.36 4.27 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 5 K 8.29 3.86 0.00 1.87 1.62 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.07 7.81 6 K 9.01 4.59 0.00 1.76 1.61 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.01 7.81 7 L 8.18 4.21 0.00 1.61 1.63 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.45 4.42 0.00 4.04 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 9 P 0.00 4.18 0.00 2.16 2.14 0.00 3.59 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 2.11 2.16 0.00 10 A 7.95 3.99 1.31 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 0.00 0.00 11 D 8.16 4.32 0.00 2.85 2.72 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 0.00 0.00 0.00 0.00 12 K 8.25 3.93 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.54 7.81 13 L 8.05 3.91 0.00 1.89 1.77 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.14 3.95 0.00 1.93 2.02 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 15 N 8.11 4.31 0.00 2.87 2.84 0.00 0.00 7.09 6.97 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 16 I 7.72 3.84 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.53 0.90 0.00 0.00 17 S 8.31 4.36 0.00 4.05 3.97 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 18 S 7.97 4.43 0.00 4.02 3.87 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 0.00 0.00 0.00 *20 L 7.91 4.23 0.00 1.91 1.75 0.95 0.86 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 21 E 8.42 3.97 0.00 2.13 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 2.26 2.50 0.00 22 E 7.96 3.96 0.00 2.15 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 2.34 2.37 0.00 23 I 7.64 3.92 2.02 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 1.69 0.78 0.92 0.00 0.00 24 V 7.68 3.64 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 0.81 0.00 0.00 0.93 0.00 0.00 25 E 7.98 4.61 0.00 2.07 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 2.27 2.50 0.00 26 D 7.60 4.62 0.00 3.08 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 27 T 8.08 3.93 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 1.21 0.00 0.00 28 T 7.80 3.97 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 1.33 0.00 0.00 29 V 7.68 4.01 2.19 0.00 0.00 0.00 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 1.05 0.00 0.00 30 P 0.00 4.32 0.00 2.31 1.97 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 31 R 8.75 3.87 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 32 N 8.13 4.43 0.00 2.96 3.07 0.00 0.00 6.19 7.85 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 33 I 7.67 3.76 1.99 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 1.65 0.81 0.91 0.00 0.00 34 R 8.00 3.90 0.00 2.03 1.97 0.00 3.23 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 35 A 8.41 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.03 3.85 1.40 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 0.00 0.00 37 A 8.12 3.93 1.32 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 38 D 8.16 4.21 0.00 2.91 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.09 3.98 0.00 2.14 1.42 0.00 0.00 6.82 7.29 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 40 A 7.75 4.02 1.42 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 0.00 0.00 41 K 7.97 3.82 0.00 1.81 2.01 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 42 N 8.50 4.47 0.00 2.81 2.84 0.00 0.00 6.98 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 43 A 8.36 4.11 1.55 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 0.00 0.00 44 L 7.77 4.20 0.00 1.78 1.65 0.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 45 H 7.50 4.69 0.00 3.16 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.97 4.52 0.00 2.79 2.81 0.00 0.00 7.24 7.66 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 47 E 8.59 4.19 0.00 2.01 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 2.32 2.53 0.00 48 E 8.47 4.34 0.00 2.11 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 2.43 0.00 49 Q 7.64 4.68 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 50 E 8.38 4.30 0.00 2.01 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 2.39 2.36 0.00 51 L 8.45 3.96 0.00 1.74 1.67 0.90 0.82 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 52 I 7.69 3.74 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 1.52 0.44 0.97 0.00 0.00 53 V 7.68 3.61 2.19 0.00 0.00 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 0.00 0.00 0.93 0.00 0.00 54 R 8.04 3.94 0.00 2.06 2.08 0.00 3.21 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 55 S 8.36 4.10 0.00 4.00 3.91 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 56 A 7.95 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.94 3.71 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 58 A 8.25 4.23 1.52 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 0.00 0.00 59 I 8.11 3.69 2.03 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 1.42 0.72 0.96 0.00 0.00 60 Q 8.09 3.96 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 61 Y 7.82 4.21 0.00 3.27 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 62 L 7.96 4.08 0.00 1.82 1.78 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.74 4.55 0.00 2.77 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 64 D 8.26 4.38 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 65 I 7.62 4.04 1.92 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 1.54 1.52 0.99 0.00 0.00 66 S 7.57 4.26 0.00 4.05 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 67 E 7.56 4.26 0.00 2.22 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 2.52 2.46 0.00 68 D 7.71 4.45 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 69 P 0.00 4.33 0.00 2.08 2.10 0.00 3.70 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 2.03 2.11 0.00 70 N 8.18 4.75 0.00 2.68 2.74 0.00 0.00 6.98 7.31 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 *72 P 0.00 4.21 0.00 1.89 2.00 0.00 3.56 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 1.95 2.17 0.00 73 I 8.28 3.72 1.89 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 1.69 0.90 0.92 0.00 0.00 74 H 8.16 4.30 0.00 3.37 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.37 4.30 4.28 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 1.20 0.00 0.00 76 R 8.03 3.96 0.00 1.89 2.07 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 77 T 7.91 4.11 4.49 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 1.43 0.00 0.00 78 Q 8.16 4.02 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 79 I 8.30 3.73 1.94 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 1.44 0.67 0.97 0.00 0.00 80 W 8.54 4.50 0.00 3.36 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 81 G 8.07 3.15 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 0.00 82 I 7.73 3.65 2.01 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 1.39 0.79 0.91 0.00 0.00 83 V 8.20 3.56 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 1.07 0.00 0.00 1.00 0.00 0.00 84 S 7.79 4.23 0.00 3.61 3.69 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 85 E 8.14 4.03 0.00 2.16 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 2.24 2.33 0.00 86 L 8.12 3.98 0.00 1.84 1.73 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.14 4.15 0.00 2.08 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 2.35 2.45 0.00 88 T 7.47 4.27 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 1.24 0.00 0.00 89 I 7.16 3.93 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 0.90 0.00 0.00 90 K 8.34 4.61 0.00 1.67 1.65 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.55 7.81 91 N 8.83 4.63 0.00 2.74 3.16 0.00 0.00 6.79 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 * Residues marked with a * may have inaccurate shift predictions.