NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0192 8.2127 108.0290 46.2881 0.0000 171.7714 3 R 4.9922 8.3193 120.4704 52.8519 31.6789 174.1296 4 F 5.0636 8.0406 120.0684 55.9424 42.3147 172.6218 5 V 4.6180 8.5569 119.0717 60.8313 33.1377 175.4289 6 V 4.7111 9.4102 123.9141 61.0668 34.0227 173.7755 7 W 5.1788 9.3809 135.0000 55.1233 32.1147 174.7061 8 P 4.2336 0.0000 0.0000 65.8402 31.1896 178.6993 9 S 3.7668 6.6704 113.3626 60.9681 62.9178 176.1844 10 E 4.3730 8.3431 120.1347 57.7977 29.5674 177.8436 11 L 4.7883 7.8872 119.1092 55.1744 41.1020 175.2560 12 D 4.8843 7.7139 120.2522 53.3205 41.3233 176.9755 13 S 4.2721 8.6484 123.0018 60.5757 63.1828 175.8775 14 R 4.0229 8.1240 119.2332 57.8625 30.1893 176.2899 15 L 4.6180 7.4527 117.6778 52.6427 43.7048 176.4716 16 S 4.5399 8.2513 115.9449 57.5761 64.3763 175.4155 17 R 4.4693 8.6588 121.4365 59.4140 29.9966 180.1553 18 K 3.9151 7.5261 117.3249 57.5676 31.6772 179.4822 19 Y 4.4040 7.9681 113.6946 57.7301 37.8572 175.4465 20 G 4.0019 8.1590 110.4162 45.6134 0.0000 174.7192 21 R 4.2574 8.1617 121.7605 56.6560 30.8455 176.4750 22 I 4.0022 8.6310 126.4491 63.3079 38.1346 177.0695 23 V 4.0575 7.3743 111.1908 59.5986 32.7025 174.8224 24 P 4.3551 0.0000 0.0000 62.7734 32.8548 177.6787 25 R 3.8746 8.5391 121.1606 59.7322 30.1350 178.9318 26 S 4.2444 7.9625 112.4105 61.0158 63.1274 176.0945 27 I 3.8801 7.5994 122.3177 63.1399 37.5304 176.1913 28 A 4.2631 7.2371 119.8650 52.7073 19.0158 177.2024 29 V 4.5177 8.3094 114.1038 59.6788 35.8425 175.6989 30 E 4.1602 8.7165 120.6481 57.1590 30.0174 178.4198 31 S 3.6892 8.5928 121.6516 57.9295 60.8567 171.0849 32 P 4.4559 0.0000 0.0000 62.8049 32.4415 177.7329 33 R 4.3586 8.9470 121.7697 54.9753 32.5852 177.7683 34 V 3.6945 8.4800 123.3779 67.2473 31.4176 179.0934 35 E 4.0532 8.1567 117.1866 61.0094 29.4979 180.6096 36 E 4.2325 8.0311 118.1217 59.5738 29.5524 179.2289 37 I 3.7878 7.9536 119.9452 64.3067 37.1783 178.6978 38 V 3.6140 8.0302 119.1438 65.9326 31.4199 177.9576 39 R 3.8597 8.2719 118.4014 59.4168 29.8662 178.2357 40 A 4.1955 8.6774 120.6343 55.2568 18.4048 179.3692 41 A 3.8238 8.3683 119.5155 55.3819 18.4797 179.7687 42 E 3.9332 8.3167 116.9518 59.7209 29.3638 179.4772 43 E 4.0513 8.1449 117.2882 59.1292 29.6189 178.5822 44 L 4.0498 7.5512 116.2553 54.1644 41.7531 177.0932 45 K 3.9398 7.6820 117.3377 57.3936 29.8369 176.0818 46 F 4.9899 8.2566 117.2776 57.1520 40.3617 174.9293 47 K 4.5264 8.7773 122.3136 54.9944 33.9955 175.2173 48 V 4.2719 8.4125 127.6074 62.5532 31.7879 174.9463 49 I 4.2662 8.7689 129.2798 62.8388 38.4797 176.3792 50 R 4.7041 7.6857 120.6186 54.6020 33.8434 173.6664 51 V 4.8734 8.4361 124.4456 61.1347 34.3536 173.9696 52 E 4.8485 9.3099 128.6475 54.4424 32.8287 174.0527 53 E 5.3141 8.7317 125.8584 54.7846 33.2319 173.4349 54 D 5.0300 9.8284 125.9196 52.3969 44.4526 174.2141 55 K 5.1886 8.9145 124.6142 54.6449 34.9276 175.3637 56 L 4.8745 9.3606 125.0025 52.6705 45.2253 175.5518 57 N 4.7204 8.8195 122.1647 52.6622 39.4318 172.7993 58 P 4.2283 0.0000 0.0000 66.3518 31.8521 178.0202 *66 E 4.4455 8.0153 111.6065 55.1957 31.7893 177.5442 67 L 5.0659 7.5004 117.6619 52.3694 44.9018 176.2787 68 R 4.0822 8.9637 122.7153 56.4917 31.0620 175.7345 69 T 5.1414 8.0782 120.0535 61.9016 71.4583 173.7680 70 F 4.8686 9.0794 122.6365 56.1826 43.8100 174.1111 71 G 4.4100 8.7855 108.1636 46.9550 0.0000 171.6812 72 M 5.1914 8.3727 115.0563 54.5895 34.9125 173.9441 73 I 5.0367 8.7529 120.4393 59.7003 41.5862 174.3634 74 V 4.6601 8.9135 127.0095 61.4371 33.3099 174.6289 75 L 5.2513 8.5640 126.5976 52.9200 46.4055 175.0117 76 E 4.9095 8.9556 120.1646 54.7126 32.4765 175.2941 77 S 4.6567 8.5069 117.7446 55.7929 65.3087 172.4739 78 P 4.1792 0.0000 0.0000 64.6507 31.3742 175.8042 79 Y 4.7528 7.2099 116.5030 55.9336 40.1987 176.0526 80 G 3.7826 8.3316 107.9805 44.1680 0.0000 174.6800 81 K 2.7610 7.9543 121.1062 58.9991 32.1103 178.7709 82 S 3.9923 7.7933 112.7735 61.4021 62.3150 175.9771 83 K 3.9515 7.9142 121.7169 59.5043 31.9168 178.7653 84 S 4.4036 8.2644 115.5733 61.6306 62.6869 176.5945 85 L 4.0803 8.3624 122.0749 57.7877 41.3346 179.7723 86 K 3.9525 7.9297 117.8370 59.4544 32.0281 179.3748 87 L 3.9435 8.1213 119.2896 57.8123 41.4787 179.7269 88 I 3.6729 8.1835 119.6607 64.2447 37.0807 178.2243 89 A 3.9424 8.1897 121.8143 55.4333 18.2387 179.5774 90 Q 3.8433 8.2022 117.9892 58.9485 28.9640 178.2557 91 K 3.5931 7.9819 120.9316 59.2508 32.0889 178.9256 92 I 3.6233 7.7285 120.2765 64.1714 36.9971 178.2361 93 R 3.8272 7.9974 119.6419 59.3810 29.8756 178.1829 94 E 3.8578 7.9550 118.9110 59.3049 29.6021 178.5535 95 F 4.5072 7.9168 118.0407 61.0491 39.0111 178.0018 96 R 3.9898 8.3747 117.5857 59.3055 29.7671 179.3490 97 R 3.9602 8.2111 117.9518 59.2182 30.0527 179.3153 98 R 3.9360 8.1964 117.8830 59.5213 29.9140 179.3769 99 S 4.2097 8.2464 113.3018 60.8655 62.8704 175.7782 100 A 4.3693 7.8630 122.0032 51.7331 18.7254 177.7293 101 G 3.8943 7.8047 105.1698 46.7444 0.0000 174.2407 102 T 4.5042 7.8572 108.1826 60.7546 69.2007 174.1435 103 L 4.0225 8.0743 126.6732 56.4234 41.2404 174.7322 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 2 G 8.21 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 3 R 8.32 4.99 0.00 1.85 1.80 0.00 3.25 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 4 F 8.04 5.06 0.00 3.09 3.12 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 0.00 5 V 8.56 4.62 2.16 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 0.80 0.00 0.00 1.10 0.00 0.00 6 V 9.41 4.71 2.23 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 1.06 0.00 0.00 1.22 0.00 0.00 7 W 9.38 5.18 0.00 3.43 3.30 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 8 P 0.00 4.23 0.00 2.03 2.17 0.00 3.76 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 2.14 2.16 0.00 9 S 6.67 3.77 0.00 2.72 3.12 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 0.00 10 E 8.34 4.37 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 11 L 7.89 4.79 0.00 1.77 1.81 0.92 0.94 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 12 D 7.71 4.88 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.65 4.27 0.00 3.97 4.07 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 0.00 0.00 0.00 0.00 14 R 8.12 4.02 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 15 L 7.45 4.62 0.00 1.69 1.61 0.77 0.57 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 16 S 8.25 4.54 0.00 4.09 4.07 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 0.00 0.00 0.00 0.00 17 R 8.66 4.47 0.00 1.93 2.05 0.00 3.43 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.61 0.00 18 K 7.53 3.92 0.00 1.78 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.30 7.81 19 Y 7.97 4.40 0.00 2.97 3.10 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 20 G 8.16 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 21 R 8.16 4.26 0.00 1.82 1.93 0.00 3.28 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 22 I 8.63 4.00 1.97 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 1.36 0.78 0.92 0.00 0.00 23 V 7.37 4.06 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 0.94 0.00 0.00 24 P 0.00 4.36 0.00 2.14 1.97 0.00 3.59 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 2.10 2.14 0.00 25 R 8.54 3.87 0.00 1.79 1.95 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 26 S 7.96 4.24 0.00 4.04 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 27 I 7.60 3.88 1.96 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 1.54 0.52 0.88 0.00 0.00 28 A 7.24 4.26 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 29 V 8.31 4.52 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 30 E 8.72 4.16 0.00 1.75 1.75 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 2.23 1.91 0.00 31 S 8.59 3.69 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.46 0.00 2.15 2.05 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 33 R 8.95 4.36 0.00 1.87 1.87 0.00 3.13 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 34 V 8.48 3.69 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 1.07 0.00 0.00 0.98 0.00 0.00 35 E 8.16 4.05 0.00 2.01 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 2.31 1.97 0.00 36 E 8.03 4.23 0.00 2.23 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 2.45 2.42 0.00 37 I 7.95 3.79 2.10 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 1.46 0.87 1.01 0.00 0.00 38 V 8.03 3.61 2.24 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 1.02 0.00 0.00 1.03 0.00 0.00 39 R 8.27 3.86 0.00 1.89 2.05 0.00 2.72 0.00 0.00 2.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.39 0.00 40 A 8.68 4.20 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 41 A 8.37 3.82 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 42 E 8.32 3.93 0.00 2.22 2.02 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 2.35 2.50 0.00 43 E 8.14 4.05 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 2.44 2.71 0.00 44 L 7.55 4.05 0.00 0.61 0.68 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.68 3.94 0.00 2.01 2.00 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.57 7.81 46 F 8.26 4.99 0.00 2.98 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 47 K 8.78 4.53 0.00 1.85 1.65 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 48 V 8.41 4.27 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 0.86 0.00 0.00 0.98 0.00 0.00 49 I 8.77 4.27 1.94 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 1.05 0.92 0.89 0.00 0.00 50 R 7.69 4.70 0.00 1.83 1.70 0.00 3.12 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 51 V 8.44 4.87 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 0.88 0.00 0.00 0.96 0.00 0.00 52 E 9.31 4.85 0.00 2.04 1.78 0.00 0.00 0.00 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 2.39 0.00 53 E 8.73 5.31 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 54 D 9.83 5.03 0.00 2.97 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 5.19 0.00 1.68 1.73 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.48 7.81 56 L 9.36 4.87 0.00 1.69 1.60 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.82 4.72 0.00 2.71 2.75 0.00 0.00 7.13 7.69 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 58 P 0.00 4.23 0.00 2.10 2.12 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 *66 E 8.02 4.45 0.00 2.01 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 2.13 1.91 0.00 67 L 7.50 5.07 0.00 1.50 1.70 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.96 4.08 0.00 2.04 1.83 0.00 3.12 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 69 T 8.08 5.14 4.11 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 0.00 0.00 0.00 1.35 0.00 0.00 70 F 9.08 4.87 0.00 3.03 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 71 G 8.79 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.37 5.19 0.00 2.26 2.24 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 2.54 2.59 0.00 73 I 8.75 5.04 1.95 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 1.18 0.94 1.01 0.00 0.00 74 V 8.91 4.66 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 1.04 0.00 0.00 0.94 0.00 0.00 75 L 8.56 5.25 0.00 1.00 1.21 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.96 4.91 0.00 1.76 1.71 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 2.10 2.09 0.00 77 S 8.51 4.66 0.00 2.72 3.45 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 0.00 78 P 0.00 4.18 0.00 1.42 1.90 0.00 3.30 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.96 0.00 79 Y 7.21 4.75 0.00 3.03 2.89 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 80 G 8.33 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 2.76 0.00 0.79 1.37 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.27 1.00 7.81 82 S 7.79 3.99 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.95 0.00 1.87 1.79 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.28 1.34 7.81 84 S 8.26 4.40 0.00 4.17 4.16 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 85 L 8.36 4.08 0.00 1.83 1.75 0.99 1.13 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 86 K 7.93 3.95 0.00 1.95 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 87 L 8.12 3.94 0.00 1.98 1.71 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.18 3.67 2.17 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.98 0.98 0.00 0.00 89 A 8.19 3.94 1.45 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 0.00 0.00 0.00 90 Q 8.20 3.84 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 91 K 7.98 3.59 0.00 1.73 1.72 0.00 1.37 0.00 0.00 0.95 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.11 0.27 7.81 92 I 7.73 3.62 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.96 0.00 0.00 93 R 8.00 3.83 0.00 1.83 2.05 0.00 3.27 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 94 E 7.96 3.86 0.00 1.97 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 2.28 2.31 0.00 95 F 7.92 4.51 0.00 3.24 2.94 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 0.00 0.00 0.00 96 R 8.37 3.99 0.00 2.02 2.00 0.00 3.14 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 1.69 1.92 0.00 97 R 8.21 3.96 0.00 2.02 1.88 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 98 R 8.20 3.94 0.00 2.13 2.02 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 99 S 8.25 4.21 0.00 3.96 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 0.00 100 A 7.86 4.37 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 0.00 101 G 7.80 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 0.00 0.00 0.00 102 T 7.86 4.50 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 0.00 103 L 8.07 4.02 0.00 1.84 1.78 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.