NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5031 8.3049 118.1944 55.2216 32.5606 174.4942 2 V 4.4097 7.9599 113.5426 58.3685 35.7977 172.6777 3 Q 4.6300 8.3827 118.6029 55.3641 32.3113 173.4361 4 Q 4.5126 8.0860 118.4359 54.6385 32.0658 174.0475 5 K 4.2764 8.5597 124.8979 56.2053 32.9042 176.7961 6 V 4.4915 7.9853 115.6103 59.3985 35.4928 174.3651 7 E 4.2791 8.5250 123.0904 54.6717 30.3379 175.9313 8 V 3.7460 8.3721 126.4307 63.1610 31.2796 175.4925 9 R 4.4701 8.3378 125.6523 55.9298 31.0462 176.9104 10 L 4.2070 7.5192 117.8649 54.0544 42.3435 176.3830 11 K 4.3079 8.4264 122.7915 56.7621 32.8991 176.0550 12 T 4.7235 8.4423 116.2826 60.4093 72.5512 172.6088 13 G 4.3292 8.1472 107.8482 45.2242 0.0000 172.6345 14 L 4.1747 8.4553 119.6512 54.9012 42.3596 178.3426 15 Q 4.2570 8.4708 120.8425 55.2984 30.7557 177.4543 16 A 4.0113 8.4607 123.5307 55.4287 18.4082 180.1902 17 R 3.8630 7.9388 116.8625 59.1210 30.3698 176.8925 18 P 4.6784 0.0000 0.0000 65.0938 31.3541 178.2884 19 A 4.0319 8.0787 120.4742 55.0722 18.3479 179.4385 20 A 4.0151 8.4423 119.7511 55.3282 18.4580 179.8926 21 L 3.9788 8.3266 117.6366 57.4652 41.5858 179.4205 22 F 3.1903 8.2223 120.9207 61.0679 39.2646 177.3850 23 V 3.7192 8.0743 117.8841 66.0046 31.0679 177.9045 24 Q 3.9227 7.8851 117.0157 58.9851 28.9036 178.2420 25 E 3.9057 7.9838 119.9491 59.1805 29.6566 178.7327 26 A 4.1238 8.0865 121.1210 55.0868 18.1793 179.1856 27 N 4.4013 8.1574 114.3028 55.7863 38.6485 177.0375 28 R 3.8801 7.4968 118.1123 56.4559 30.4492 176.1927 29 F 5.0708 7.1742 117.4182 55.5732 41.7655 175.7345 30 T 4.1591 9.1094 113.7025 64.1044 68.8915 175.7546 31 S 4.4749 8.3338 118.6283 58.8918 64.1084 173.7419 32 D 4.6091 8.9765 122.8409 54.0601 42.3690 175.7195 33 V 4.8602 7.6122 120.0459 61.3454 35.3766 174.0659 34 F 5.4579 9.5066 124.4672 55.8908 43.9803 173.4170 35 L 5.3184 8.7699 119.5848 53.1432 45.3837 175.4876 36 E 5.2076 9.1780 122.6234 54.6093 33.7987 174.0807 37 K 4.6094 8.9494 126.6745 55.6360 36.0244 175.6919 38 D 4.5143 9.7809 127.8747 55.5655 38.3101 174.6646 39 G 3.8640 8.2668 104.2119 45.2721 0.0000 172.9123 40 K 4.4143 8.0389 121.9360 54.2767 33.4257 174.2756 41 K 5.1872 8.5659 127.4963 54.7663 34.3264 175.3799 42 V 4.6543 8.7929 119.7774 59.1881 36.2456 174.4356 43 N 4.6420 8.7410 121.6586 53.4945 39.3756 175.3461 44 A 4.1437 8.7213 129.6950 53.3309 18.7495 177.5610 45 K 4.4190 8.3419 114.9047 55.8424 32.5555 176.0103 46 S 4.7091 7.7236 115.4130 56.3520 63.6489 175.5986 47 I 4.0228 8.3684 127.4647 61.9537 36.3416 177.3523 *49 G 3.9851 8.2177 110.5177 45.7530 0.0000 176.2675 50 L 3.8416 7.9180 120.7319 55.1696 41.4787 178.6091 *52 S 4.3904 8.0232 112.5864 57.2083 64.7780 173.7955 53 L 3.8821 7.3956 122.7229 54.5603 42.1383 176.0296 54 A 4.4289 8.4770 127.8241 52.2702 18.3046 176.8059 55 V 4.5966 8.4680 113.9625 60.6457 36.2264 175.5661 56 S 4.8132 8.3942 117.8617 56.5704 66.9098 173.8987 57 T 4.0027 8.5558 119.9290 65.5918 68.6135 174.7068 58 G 3.9237 8.9641 114.0977 45.4199 0.0000 173.4538 59 T 4.2525 7.3526 113.7300 61.3800 68.2786 173.1436 60 E 4.6483 8.3481 123.6240 55.0366 31.0875 175.9341 61 V 4.6390 7.9714 114.2041 60.0914 36.5240 174.6561 62 T 4.5595 8.7250 118.9210 61.9126 70.4497 173.5551 63 L 4.9343 8.5754 128.9344 54.1783 43.6474 175.6641 64 I 4.8503 8.9611 125.7143 59.5325 41.0216 174.2098 65 A 5.3942 8.7437 127.4879 50.1986 22.2776 175.2633 66 Q 4.6600 9.6928 119.5821 53.6496 32.4559 175.4034 67 G 4.4962 8.6227 111.1203 44.5234 0.0000 172.1814 68 E 3.9638 8.6050 120.0228 58.6836 29.5895 177.4909 69 D 5.1530 7.8899 117.2776 52.7380 40.2676 177.8681 70 E 3.8327 8.0627 121.4100 60.6857 29.2243 178.2077 71 Q 3.8657 7.9169 119.7101 59.0172 29.2567 177.8703 72 E 3.8907 8.0530 118.9208 59.1560 29.4905 178.9643 73 A 2.0000 7.6149 120.9101 54.3449 18.2926 179.3795 74 L 3.7758 7.7354 118.8295 58.3223 42.2475 179.0257 75 E 3.9256 7.9442 118.4235 59.2765 29.3999 179.3508 76 K 3.9845 7.8480 119.6034 59.5794 32.2341 178.9696 77 L 3.9131 8.0888 119.3185 57.4052 41.4706 179.2915 78 A 4.0332 8.4806 121.1695 55.1024 18.3293 179.5003 79 A 3.9631 7.9182 118.8491 55.3333 18.3045 179.2140 80 Y 3.8921 8.0360 117.9746 60.9994 38.7439 178.5032 81 V 3.6536 8.1155 117.9036 65.7294 31.6900 176.9666 82 Q 4.2783 7.9204 114.9050 54.5745 29.5439 175.3076 83 E 3.7452 7.7964 118.4861 57.8062 27.5124 174.2981 84 E 4.7517 8.4499 111.5989 55.7129 31.1174 177.3002 85 V 3.7499 7.8776 118.1755 62.8914 32.4256 175.0746 86 L 4.4232 8.2519 126.7291 53.8543 42.7281 176.8422 87 Q 4.1771 8.5525 119.6301 56.3959 28.6222 176.3245 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 4.50 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 2 V 7.96 4.41 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 0.74 0.00 0.00 0.93 0.00 0.00 3 Q 8.38 4.63 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 4 Q 8.09 4.51 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 5 K 8.56 4.28 0.00 1.79 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.40 7.81 6 V 7.99 4.49 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 0.71 0.00 0.00 0.93 0.00 0.00 7 E 8.52 4.28 0.00 1.92 1.85 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 2.24 2.28 0.00 8 V 8.37 3.75 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 0.88 0.00 0.00 0.93 0.00 0.00 9 R 8.34 4.47 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 10 L 7.52 4.21 0.00 1.63 1.60 0.92 0.88 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 11 K 8.43 4.31 0.00 1.76 1.71 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 12 T 8.44 4.72 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 1.26 0.00 0.00 13 G 8.15 4.33 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 0.00 14 L 8.46 4.17 0.00 1.62 1.63 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.47 4.26 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 16 A 8.46 4.01 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 17 R 7.94 3.86 0.00 1.96 1.97 0.00 3.27 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 1.73 1.80 0.00 18 P 0.00 4.68 0.00 2.42 2.37 0.00 3.96 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 2.31 1.92 0.00 19 A 8.08 4.03 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.44 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 21 L 8.33 3.98 0.00 1.87 1.73 1.02 0.81 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 22 F 8.22 3.19 0.00 3.32 3.18 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 23 V 8.07 3.72 2.25 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 1.19 0.00 0.00 1.09 0.00 0.00 24 Q 7.89 3.92 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 25 E 7.98 3.91 0.00 1.76 1.62 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 2.15 2.33 0.00 26 A 8.09 4.12 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 27 N 8.16 4.40 0.00 2.81 2.85 0.00 0.00 7.06 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 28 R 7.50 3.88 0.00 1.25 1.33 0.00 2.96 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 29 F 7.17 5.07 0.00 3.10 3.17 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 0.00 0.00 0.00 0.00 30 T 9.11 4.16 4.27 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 1.23 0.00 0.00 31 S 8.33 4.47 0.00 3.81 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 32 D 8.98 4.61 0.00 2.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 4.86 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 1.28 0.00 0.00 0.89 0.00 0.00 34 F 9.51 5.46 0.00 3.02 3.01 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 35 L 8.77 5.32 0.00 1.54 1.49 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.18 5.21 0.00 2.00 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 0.00 2.19 2.36 0.00 37 K 8.95 4.61 0.00 1.84 1.57 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.42 7.81 38 D 9.78 4.51 0.00 2.81 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 39 G 8.27 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.04 4.41 0.00 1.83 1.84 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.38 7.81 41 K 8.57 5.19 0.00 1.90 1.63 0.00 1.43 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.36 1.64 7.81 42 V 8.79 4.65 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 0.68 0.00 0.00 0.96 0.00 0.00 43 N 8.74 4.64 0.00 2.93 2.72 0.00 0.00 6.88 8.70 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 44 A 8.72 4.14 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 45 K 8.34 4.42 0.00 1.81 1.82 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.33 7.81 46 S 7.72 4.71 0.00 3.85 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 47 I 8.37 4.02 1.88 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 1.37 0.66 0.92 0.00 0.00 *49 G 8.22 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 50 L 7.92 3.84 0.00 1.88 1.70 0.49 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 *52 S 8.02 4.39 0.00 4.04 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 53 L 7.40 3.88 0.00 1.61 1.59 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.48 4.43 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 55 V 8.47 4.60 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 0.70 0.00 0.00 0.91 0.00 0.00 56 S 8.39 4.81 0.00 3.72 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 57 T 8.56 4.00 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 1.20 0.00 0.00 58 G 8.96 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.35 4.25 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 1.27 0.00 0.00 60 E 8.35 4.65 0.00 1.99 1.85 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 2.24 2.25 0.00 61 V 7.97 4.64 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 0.72 0.00 0.00 0.94 0.00 0.00 62 T 8.72 4.56 4.26 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 1.23 0.00 0.00 63 L 8.58 4.93 0.00 1.72 1.61 1.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.96 4.85 2.12 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 1.21 0.69 1.02 0.00 0.00 65 A 8.74 5.39 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.69 4.66 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 67 G 8.62 4.50 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 0.00 68 E 8.60 3.96 0.00 1.94 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 2.32 2.40 0.00 69 D 7.89 5.15 0.00 3.07 2.93 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 70 E 8.06 3.83 0.00 2.29 2.46 0.00 0.00 0.00 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 71 Q 7.92 3.87 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 72 E 8.05 3.89 0.00 2.25 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 2.46 2.45 0.00 73 A 7.61 2.00 0.76 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 0.00 0.00 74 L 7.74 3.78 0.00 1.79 1.75 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.94 3.93 0.00 2.15 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 2.56 0.00 76 K 7.85 3.98 0.00 2.05 1.86 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.90 1.59 7.81 77 L 8.09 3.91 0.00 1.67 1.51 0.72 0.20 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 78 A 8.48 4.03 1.35 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 79 A 7.92 3.96 1.48 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 0.00 0.00 80 Y 8.04 3.89 0.00 3.12 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 81 V 8.12 3.65 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 0.95 0.00 0.00 1.39 0.00 0.00 82 Q 7.92 4.28 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 83 E 7.80 3.75 0.00 2.06 1.93 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 2.07 2.13 0.00 84 E 8.45 4.75 0.00 1.85 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 0.00 2.22 2.32 0.00 85 V 7.88 3.75 2.12 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 0.85 0.00 0.00 1.02 0.00 0.00 86 L 8.25 4.42 0.00 1.69 1.59 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.55 4.18 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.