NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3202 8.2644 123.5815 52.4170 19.7907 175.8132 2 S 4.2201 8.2360 110.1922 56.7383 63.0452 171.6056 3 A 3.7885 7.4832 127.6848 50.2075 17.8749 176.7962 4 A 5.0766 6.6845 130.0931 51.6566 21.9567 177.2761 5 K 4.2979 7.3922 122.9530 57.1841 34.5301 176.2593 6 G 4.1675 9.0748 108.6239 49.2182 0.0000 175.7520 7 D 3.3700 7.2789 112.6094 50.2696 44.0695 176.2587 8 H 4.0440 8.4706 117.3389 57.6414 28.7311 176.5656 9 G 4.1585 7.7283 106.0950 48.0802 0.0000 173.9382 10 G 3.6157 7.3639 114.4017 43.7609 0.0000 171.0902 *12 G 3.8218 8.4872 111.9967 45.0609 0.0000 172.5360 13 A 4.1324 8.5702 119.4461 55.2643 18.2061 179.8100 14 R 3.9423 8.0272 116.7204 59.8161 30.1734 178.7007 15 T 3.9096 7.9256 115.0398 66.6337 68.4525 176.5779 16 W 3.9447 8.2018 120.7832 59.5221 28.9359 178.7112 17 R 3.9043 8.7378 119.4195 59.0470 29.4893 178.2384 18 F 4.2539 8.3124 120.6211 61.5251 39.3327 176.9844 19 L 3.9606 8.2548 118.8537 58.0986 41.3554 179.7475 20 T 3.7692 8.1171 115.6584 66.7987 68.2161 176.5824 21 F 4.8656 8.2143 117.8802 59.3755 39.2269 177.5405 22 G 4.1135 8.7096 104.0614 45.0575 0.0000 173.6456 23 L 4.5220 7.6581 119.8743 56.2738 44.5569 178.1123 24 A 3.9651 8.3775 120.2652 55.3237 18.2744 179.6861 25 L 3.9777 8.3820 117.8416 57.2935 41.6674 177.7417 26 P 4.2567 0.0000 0.0000 65.9583 31.2101 178.4617 27 S 4.1214 8.2436 113.7599 61.8984 62.7195 177.1735 28 V 3.5247 7.7242 120.1431 65.6411 31.2163 178.0634 29 A 3.9583 8.2053 121.0396 54.9296 18.1654 179.5010 30 L 3.8991 8.2451 117.9020 58.3897 41.7236 179.6989 31 C 4.0269 8.2277 116.5457 62.8969 27.8384 176.5296 32 T 3.3840 7.9312 117.6092 66.1845 67.8041 176.2914 33 L 3.9235 7.6083 120.9257 58.3462 42.2985 178.0000 34 N 4.2884 8.2952 116.9948 56.8940 38.4856 176.9348 35 S 3.9986 8.1376 116.5494 60.7346 63.9621 175.1252 36 W 5.4375 7.7529 122.2522 54.1329 25.4806 174.0002 37 L 4.3476 7.5866 130.0422 56.5838 48.3005 174.6970 38 H 4.7224 8.4004 114.6512 56.7613 29.6890 177.8477 39 S 4.8065 7.5675 118.9069 55.2298 62.0163 173.3122 40 G 3.7352 8.9937 114.2790 44.6664 0.0000 172.1447 41 H 4.1176 8.7764 120.5240 56.6210 29.0442 175.5502 42 R 4.2357 8.3961 123.2078 55.2689 30.9541 175.7879 43 E 4.1425 8.5377 121.4167 55.1947 29.7958 176.7354 44 R 3.9854 8.6244 123.3887 56.0374 29.6731 174.7847 45 P 4.5217 0.0000 0.0000 61.7604 32.3788 175.8726 46 A 4.2124 8.4581 122.2753 52.5218 18.8172 177.1325 47 F 4.5559 8.8918 123.2105 57.7054 40.1970 175.0496 48 I 3.9820 7.2230 127.8560 58.5861 40.2782 174.6099 49 P 4.1348 0.0000 0.0000 61.5263 30.8919 176.2655 50 Y 4.3532 7.2203 115.6352 60.2799 38.6482 177.8744 51 H 4.6584 8.9954 119.1766 57.0877 29.4907 175.7080 52 H 4.6789 8.3499 113.5354 55.5658 28.8172 174.1486 53 L 4.7630 7.0730 117.9777 53.1845 45.5144 175.6862 54 R 3.7954 8.6233 115.5869 57.2564 27.6114 177.4479 55 I 3.8015 7.6618 116.8987 61.6397 37.8540 177.0702 56 R 4.2710 8.2001 123.2279 54.8724 31.5051 174.5384 57 T 4.2735 8.0721 112.7372 62.0458 70.0723 175.3303 58 K 4.3887 7.1748 120.9290 54.3359 35.0185 173.2921 59 P 4.2336 0.0000 0.0000 62.0869 32.1990 176.4757 60 F 3.9816 7.9433 119.8112 57.6543 39.2006 175.6597 61 S 4.5101 7.8069 117.4887 58.0026 63.5756 173.9594 62 W 5.2059 7.1365 115.5094 55.5996 31.6826 174.7599 63 G 3.8810 8.6490 106.8945 46.9954 0.0000 174.3270 64 D 4.5176 8.7977 122.8653 53.6192 40.0119 177.5846 65 G 4.2908 8.4978 109.8941 45.2959 0.0000 174.1991 66 N 5.0325 8.4698 115.4754 53.1576 40.0534 173.2261 67 H 4.8944 8.0428 114.0422 54.5075 31.2921 174.0910 68 T 3.5646 8.2718 113.7359 60.7420 69.7429 175.1733 69 F 3.1997 8.8317 124.0382 60.5422 39.3400 176.2337 70 F 4.9900 7.5759 117.6954 56.3368 39.4494 175.4092 71 H 3.9753 7.7324 120.2309 56.8764 30.2014 173.4641 72 N 4.8169 8.4408 124.6339 51.0156 39.8703 172.5793 73 P 4.2453 0.0000 0.0000 65.7058 31.7142 178.1478 74 R 4.0540 8.1836 117.6803 58.5753 29.9961 177.2605 75 V 4.5110 7.7514 106.5716 60.5655 33.5233 174.8937 76 N 4.8660 8.3467 118.3176 50.5530 38.7681 172.8299 77 P 4.2170 0.0000 0.0000 61.8004 32.4132 176.4271 78 L 4.2485 7.8738 119.5197 53.6028 42.2562 176.4225 79 P 4.4010 0.0000 0.0000 65.7896 31.1819 177.5266 80 T 4.2475 7.6160 105.0479 60.7346 69.5260 172.7221 81 G 2.0000 7.3801 108.7532 43.4884 0.0000 173.1869 82 Y 4.3449 7.6538 116.2543 57.8021 38.3540 176.2403 83 E 4.3309 8.5250 121.4992 55.3907 30.6858 177.2525 84 K 4.0321 8.6952 119.0447 57.2674 32.0965 176.9557 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 A 8.26 4.32 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 2 S 8.24 4.22 0.00 3.85 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 3 A 7.48 3.79 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 4 A 6.68 5.08 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 5 K 7.39 4.30 0.00 1.57 1.40 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.34 7.81 6 G 9.07 4.17 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 0.00 7 D 7.28 3.37 0.00 2.58 2.42 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 8 H 8.47 4.04 0.00 3.40 3.37 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.73 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 0.00 0.00 0.00 10 G 7.36 3.62 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 0.00 0.00 0.00 *12 G 8.49 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 0.00 0.00 0.00 13 A 8.57 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.94 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 15 T 7.93 3.91 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 0.78 0.00 0.00 16 W 8.20 3.94 0.00 3.44 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 17 R 8.74 3.90 0.00 2.02 2.26 0.00 3.21 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 18 F 8.31 4.25 0.00 3.23 3.08 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 19 L 8.25 3.96 0.00 1.71 1.60 -0.16 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.12 3.77 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 0.69 0.00 0.00 21 F 8.21 4.87 0.00 3.07 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 22 G 8.71 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 0.00 0.00 0.00 0.00 23 L 7.66 4.52 0.00 1.64 1.76 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.38 3.97 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 25 L 8.38 3.98 0.00 1.77 1.80 0.97 1.05 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 26 P 0.00 4.26 0.00 2.18 2.15 0.00 3.67 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 2.29 2.26 0.00 27 S 8.24 4.12 0.00 4.03 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 28 V 7.72 3.52 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 0.98 0.00 0.00 0.98 0.00 0.00 29 A 8.21 3.96 1.41 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 30 L 8.25 3.90 0.00 1.81 1.70 0.91 0.81 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 31 C 8.23 4.03 0.00 2.85 2.85 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 32 T 7.93 3.38 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 1.05 0.00 0.00 33 L 7.61 3.92 0.00 1.83 1.83 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.30 4.29 0.00 2.70 2.82 0.00 0.00 7.34 8.41 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 35 S 8.14 4.00 0.00 3.23 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 36 W 7.75 5.44 0.00 3.20 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 37 L 7.59 4.35 0.00 1.98 1.80 0.97 1.04 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 38 H 8.40 4.72 0.00 3.14 3.37 0.00 5.91 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.57 4.81 0.00 4.12 3.75 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 40 G 8.99 3.74 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 0.00 0.00 0.00 41 H 8.78 4.12 0.00 3.15 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.40 4.24 0.00 1.84 1.89 0.00 3.25 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 E 8.54 4.14 0.00 1.94 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 2.28 2.24 0.00 44 R 8.62 3.99 0.00 1.96 1.88 0.00 2.30 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.00 45 P 0.00 4.52 0.00 2.32 2.18 0.00 4.00 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 2.16 2.07 0.00 46 A 8.46 4.21 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 47 F 8.89 4.56 0.00 2.98 3.07 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 48 I 7.22 3.98 1.17 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 -0.21 0.00 0.00 49 P 0.00 4.13 0.00 2.01 2.12 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 50 Y 7.22 4.35 0.00 2.96 2.84 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 0.00 0.00 0.00 51 H 9.00 4.66 0.00 3.21 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.35 4.68 0.00 3.26 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.07 4.76 0.00 1.66 1.59 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.62 3.80 0.00 1.93 2.00 0.00 3.44 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 55 I 7.66 3.80 1.89 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 1.44 0.76 0.89 0.00 0.00 56 R 8.20 4.27 0.00 1.65 1.68 0.00 3.15 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 57 T 8.07 4.27 4.19 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 0.00 0.00 0.00 1.18 0.00 0.00 58 K 7.17 4.39 0.00 1.59 1.52 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.35 7.81 59 P 0.00 4.23 0.00 1.93 1.82 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 60 F 7.94 3.98 0.00 2.31 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 61 S 7.81 4.51 0.00 4.12 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 62 W 7.14 5.21 0.00 3.44 3.37 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 63 G 8.65 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 64 D 8.80 4.52 0.00 2.79 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 65 G 8.50 4.29 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 0.00 66 N 8.47 5.03 0.00 2.59 2.85 0.00 0.00 6.97 7.75 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 67 H 8.04 4.89 0.00 3.15 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.27 3.56 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 1.32 0.00 0.00 69 F 8.83 3.20 0.00 2.48 2.40 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 70 F 7.58 4.99 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.73 3.98 0.00 3.25 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.44 4.82 0.00 2.74 2.66 0.00 0.00 7.19 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 73 P 0.00 4.25 0.00 2.10 2.19 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 74 R 8.18 4.05 0.00 1.95 1.92 0.00 3.29 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 75 V 7.75 4.51 2.18 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 0.82 0.00 0.00 0.98 0.00 0.00 76 N 8.35 4.87 0.00 2.73 2.84 0.00 0.00 6.97 8.42 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 77 P 0.00 4.22 0.00 1.53 0.64 0.00 3.72 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 78 L 7.87 4.25 0.00 1.64 1.54 0.86 0.72 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 79 P 0.00 4.40 0.00 2.03 2.17 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 80 T 7.62 4.25 4.19 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 0.00 0.00 0.00 1.20 0.00 0.00 81 G 7.38 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.65 4.34 0.00 2.91 2.82 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 83 E 8.52 4.33 0.00 2.05 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 2.33 2.38 0.00 84 K 8.70 4.03 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.