NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4373 8.3049 120.3265 55.0030 34.0587 175.7138 2 V 3.9925 7.6497 110.5010 60.4413 31.8374 174.6015 3 K 4.3002 8.3726 121.6293 55.9352 33.5228 177.4267 4 E 3.7387 8.6404 119.6040 57.9347 29.6563 177.1479 5 V 4.2599 7.0760 119.0973 60.9464 32.3893 174.2759 6 N 5.0008 8.3846 124.5718 52.1619 42.0093 173.5692 7 V 4.3283 8.0299 117.2452 59.0575 33.4978 174.3512 8 P 4.5503 0.0000 0.0000 62.6523 31.9999 175.6159 9 D 4.7683 8.1578 117.3324 55.6147 43.3189 175.3807 10 I 4.1369 7.4611 117.2952 61.3760 43.7168 173.7706 *15 V 4.0546 7.9815 118.7214 61.5711 31.9681 174.9546 16 E 4.0805 8.8322 121.0621 55.3888 30.1257 174.4174 17 V 3.0707 7.8024 122.8726 63.6018 28.9989 171.3906 18 T 4.1918 8.0052 122.4200 63.4007 70.2030 173.5587 19 E 3.9092 8.8304 124.2734 56.7295 27.3719 175.1590 20 V 4.0453 7.1693 117.1391 61.5798 32.5579 174.1510 21 M 4.6621 8.3562 122.6774 55.9644 38.7423 175.4524 22 V 4.0160 7.8248 115.9390 60.2476 33.3743 173.5665 23 K 3.5389 7.9209 122.0203 56.5933 28.9127 173.8727 24 V 3.8557 7.5720 123.3642 59.2798 33.3186 181.1242 25 G 3.6302 7.7816 112.5618 46.7807 0.0000 173.3562 26 D 4.7839 8.6131 124.1537 51.1930 40.8433 176.3578 27 K 4.1894 8.2617 125.8029 55.3850 32.7451 175.0969 28 V 3.5690 7.8830 127.2173 61.3137 32.1529 177.7629 29 A 3.6709 7.7947 125.3487 50.5996 18.1440 176.5852 30 A 4.1357 8.2651 121.7225 52.0022 18.8974 177.5315 31 E 4.1900 8.6281 120.6344 56.4338 30.3455 176.7915 32 Q 4.5436 8.6136 119.0676 55.4130 30.7425 175.5526 33 S 4.7617 7.7063 112.2424 56.6084 64.9127 174.3676 34 L 3.9578 8.3761 121.0706 55.5663 41.6827 175.3666 35 I 3.0336 8.0757 121.4496 61.9305 34.2315 174.6462 36 T 3.2981 8.4112 121.3241 63.9777 67.7116 175.2520 37 V 4.1768 8.1075 120.9517 60.0555 34.5901 175.5350 38 E 4.1606 8.5194 118.2695 56.7718 29.5789 175.6231 39 G 3.8311 8.0313 107.2124 46.2549 0.0000 173.1194 40 D 4.5060 7.3396 119.6272 52.1144 43.9112 175.4998 41 K 4.2830 8.1511 122.4048 55.8723 33.9524 173.3908 42 A 4.3373 8.4683 127.5060 51.9506 20.6044 177.7328 43 S 4.2504 8.7531 110.1095 57.0811 64.5115 174.5637 44 M 4.6880 8.2757 123.7632 53.6408 34.8638 174.3372 45 E 4.2722 8.7352 125.5241 56.3510 30.4775 176.5305 46 V 4.4735 8.0274 113.9120 59.0332 35.0772 173.7094 47 P 4.7383 0.0000 0.0000 60.7843 33.4467 174.6420 48 A 4.3203 8.1080 121.7887 50.9326 19.2667 176.1386 49 P 4.5004 0.0000 0.0000 65.3384 31.7815 176.5191 50 F 4.8663 7.2312 110.4535 54.3933 40.7424 173.4614 51 A 3.8797 8.5018 124.8567 52.3437 19.0584 177.6574 52 G 3.9959 7.2535 107.2418 45.8766 0.0000 171.9929 53 V 4.5679 8.2768 118.9014 60.9122 35.2357 176.2690 54 V 4.0349 8.7727 127.7483 63.1465 30.6889 175.1248 55 K 4.2817 8.1479 124.9775 58.2603 33.5662 177.5035 56 E 4.5129 7.5650 119.7885 54.3645 32.4729 173.6966 57 L 4.3733 8.3680 127.9921 54.5061 43.1912 175.6523 58 K 4.3887 8.0077 123.7222 56.6776 34.0717 176.8808 59 V 4.4596 7.5498 110.0787 59.4102 34.4830 174.5649 60 N 4.8885 8.2759 120.4249 51.0876 40.4956 174.7494 61 V 3.7156 8.1475 120.4692 65.0203 31.8371 176.4054 62 G 3.8819 9.0727 114.8842 45.0677 0.0000 172.5852 63 D 4.6152 7.5505 119.6116 52.1177 41.0846 176.1514 64 K 4.0222 8.5563 126.4380 57.1706 32.9439 176.3806 65 V 4.4429 7.9809 119.1974 60.0786 34.0889 174.9724 66 K 4.6415 7.9135 117.9852 54.6687 36.0154 176.3639 67 T 4.1274 8.3820 119.2509 64.8278 68.6181 174.3850 68 G 4.0278 8.9760 114.8910 45.5052 0.0000 173.6656 69 S 4.5446 7.4954 113.7316 57.0722 64.7605 173.0821 70 L 4.6675 8.0285 120.6507 53.4286 43.2292 176.2484 71 I 4.3981 8.0814 109.8379 62.4796 39.3179 174.8674 72 M 4.9332 7.4610 117.0423 53.4131 35.8718 173.9916 73 I 4.4423 7.4696 120.4651 59.6496 41.1836 175.0052 74 F 5.3983 8.7410 123.7119 54.9494 42.3869 175.0226 75 E 4.7192 8.9261 121.3500 54.4408 30.9487 174.2288 76 V 4.1816 8.4844 125.7181 60.2795 32.8423 175.4391 77 E 4.4832 8.9831 126.6380 54.4182 30.6150 175.0256 78 G 3.9060 8.6053 114.6107 45.4703 0.0000 172.3876 79 A 4.2514 7.7776 122.7879 51.2019 19.4890 177.1124 80 A 4.2704 8.2950 125.1495 50.8193 19.3562 175.5743 81 P 4.2876 0.0000 0.0000 62.4654 31.9633 175.9354 82 A 4.3152 8.0525 124.5948 50.6890 20.4810 173.4365 83 A 3.5649 8.8308 126.0433 49.2445 17.5058 176.2296 84 A 3.6438 8.2034 124.2634 50.4239 15.9347 175.7161 85 P 4.2850 0.0000 0.0000 62.7562 32.2171 176.2548 86 A 4.5383 8.1769 123.4512 50.7891 20.6613 176.3493 87 K 4.6194 8.2869 119.9057 54.8341 34.3228 175.1546 88 Q 4.4633 8.4955 123.0250 56.9535 33.2816 174.0233 89 E 4.1890 8.1710 120.7419 56.4960 29.6351 176.1480 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 8.30 4.44 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 V 7.65 3.99 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 0.76 0.00 0.00 0.93 0.00 0.00 3 K 8.37 4.30 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.40 7.81 4 E 8.64 3.74 0.00 1.95 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 2.31 2.24 0.00 5 V 7.08 4.26 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 0.84 0.00 0.00 0.93 0.00 0.00 6 N 8.38 5.00 0.00 2.64 2.60 0.00 0.00 7.18 7.71 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 7 V 8.03 4.33 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 0.78 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.55 0.00 2.04 1.98 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 9 D 8.16 4.77 0.00 2.58 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 10 I 7.46 4.14 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 1.47 0.93 0.92 0.00 0.00 *15 V 7.98 4.05 2.14 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 0.94 0.00 0.00 0.97 0.00 0.00 16 E 8.83 4.08 0.00 2.09 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 0.00 2.23 2.28 0.00 17 V 7.80 3.07 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 0.87 0.00 0.00 0.93 0.00 0.00 18 T 8.01 4.19 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 19 E 8.83 3.91 0.00 2.11 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 0.00 2.21 2.22 0.00 20 V 7.17 4.05 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 0.76 0.00 0.00 0.93 0.00 0.00 21 M 8.36 4.66 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 22 V 7.82 4.02 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 0.87 0.00 0.00 0.93 0.00 0.00 23 K 7.92 3.54 0.00 1.88 1.85 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.40 7.81 24 V 7.57 3.86 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 0.81 0.00 0.00 0.93 0.00 0.00 25 G 7.78 3.63 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 0.00 0.00 0.00 26 D 8.61 4.78 0.00 2.76 2.66 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 27 K 8.26 4.19 0.00 1.68 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.42 7.81 28 V 7.88 3.57 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 29 A 7.79 3.67 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 30 A 8.27 4.14 1.25 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 0.00 0.00 0.00 31 E 8.63 4.19 0.00 2.09 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 2.33 0.00 32 Q 8.61 4.54 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 33 S 7.71 4.76 0.00 3.97 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 34 L 8.38 3.96 0.00 1.64 1.77 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.08 3.03 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 1.41 0.56 0.91 0.00 0.00 36 T 8.41 3.30 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 37 V 8.11 4.18 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 0.73 0.00 0.00 0.93 0.00 0.00 38 E 8.52 4.16 0.00 2.07 1.95 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 2.27 2.31 0.00 39 G 8.03 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 40 D 7.34 4.51 0.00 2.57 2.51 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 0.00 0.00 0.00 0.00 41 K 8.15 4.28 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.34 7.81 42 A 8.47 4.34 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.75 4.25 0.00 3.99 3.90 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 44 M 8.28 4.69 0.00 1.93 1.92 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 2.55 0.00 45 E 8.74 4.27 0.00 2.00 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 2.31 2.33 0.00 46 V 8.03 4.47 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 0.82 0.00 0.00 0.94 0.00 0.00 47 P 0.00 4.74 0.00 2.16 2.04 0.00 3.77 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 1.91 1.94 0.00 48 A 8.11 4.32 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 49 P 0.00 4.50 0.00 2.53 2.34 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 50 F 7.23 4.87 0.00 3.11 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 51 A 8.50 3.88 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 52 G 7.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 4.57 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 0.96 0.00 0.00 0.95 0.00 0.00 54 V 8.77 4.03 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 0.80 0.00 0.00 1.07 0.00 0.00 55 K 8.15 4.28 0.00 1.94 1.94 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.34 7.81 56 E 7.57 4.51 0.00 1.95 1.74 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 2.24 2.27 0.00 57 L 8.37 4.37 0.00 1.60 1.51 0.92 0.62 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 58 K 8.01 4.39 0.00 1.54 1.97 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.34 7.81 59 V 7.55 4.46 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 0.88 0.00 0.00 0.97 0.00 0.00 60 N 8.28 4.89 0.00 2.77 2.70 0.00 0.00 6.72 7.67 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 61 V 8.15 3.72 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 0.86 0.00 0.00 0.93 0.00 0.00 62 G 9.07 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.55 4.62 0.00 2.66 2.75 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 64 K 8.56 4.02 0.00 1.90 1.82 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.44 7.81 65 V 7.98 4.44 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 0.78 0.00 0.00 0.93 0.00 0.00 66 K 7.91 4.64 0.00 1.64 1.67 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 67 T 8.38 4.13 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 68 G 8.98 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 69 S 7.50 4.54 0.00 3.97 3.89 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 0.00 0.00 0.00 70 L 8.03 4.67 0.00 1.61 1.61 0.92 0.72 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 71 I 8.08 4.40 1.85 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 1.41 0.91 0.91 0.00 0.00 72 M 7.46 4.93 0.00 1.37 1.63 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 73 I 7.47 4.44 1.76 0.00 0.00 0.82 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 0.86 0.91 0.00 0.00 74 F 8.74 5.40 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.72 0.00 2.00 1.90 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 2.23 2.26 0.00 76 V 8.48 4.18 2.47 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 0.83 0.00 0.00 1.00 0.00 0.00 77 E 8.98 4.48 0.00 2.17 1.90 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 2.18 2.27 0.00 78 G 8.61 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 0.00 0.00 0.00 79 A 7.78 4.25 1.25 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 0.00 0.00 0.00 80 A 8.30 4.27 1.25 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 0.00 0.00 0.00 81 P 0.00 4.29 0.00 2.19 2.08 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 82 A 8.05 4.32 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 83 A 8.83 3.56 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 84 A 8.20 3.64 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 4.28 0.00 2.05 2.01 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 86 A 8.18 4.54 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 87 K 8.29 4.62 0.00 1.68 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.37 7.81 88 Q 8.50 4.46 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 89 E 8.17 4.19 0.00 2.00 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 2.30 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.