NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3497 8.2033 119.6284 55.7675 30.6674 173.3730 4 L 4.8186 8.5534 124.3520 52.2059 43.8665 174.2456 5 Q 4.4757 9.6529 126.1705 54.5774 30.8091 173.7034 6 E 5.1264 8.7126 127.8137 55.5539 31.5681 174.7850 7 S 4.5130 9.3161 117.9475 58.1425 67.0484 174.2049 8 G 3.9770 8.2946 106.1720 44.2503 0.0000 171.5560 9 G 3.5926 7.8469 104.6634 43.3664 0.0000 169.7096 10 G 3.6760 8.0761 103.9670 43.9133 0.0000 171.6051 11 L 5.2054 8.2813 121.1025 53.5046 43.6259 177.2687 12 V 4.5735 8.5395 124.4310 60.0218 35.3315 173.9762 13 Q 4.6852 8.9276 123.4392 54.9618 30.3681 175.1073 14 A 4.2257 8.5526 128.8291 54.3215 18.8240 177.8123 15 G 3.9705 9.4563 111.2976 45.1031 0.0000 173.9518 16 G 4.0288 7.9393 106.8363 45.5842 0.0000 172.6559 17 S 5.4464 8.4121 113.7815 56.7769 67.1868 173.6165 18 L 4.6425 8.5764 120.8338 53.0833 46.3710 175.1999 19 R 4.7813 8.3968 122.0159 54.6154 32.1219 174.7996 20 L 4.7853 8.4845 126.6406 53.6346 44.3217 175.7373 21 S 5.4553 8.9549 115.9999 57.6886 67.8892 172.2227 22 C 5.4709 9.4392 119.9735 56.0048 45.7028 172.5092 23 A 5.1868 8.5975 124.1821 49.7008 22.8594 176.6904 24 A 5.4511 8.7193 127.7146 51.2834 17.5645 181.0486 *31 S 4.0688 8.7986 115.5048 60.2881 62.7874 172.0373 32 F 5.0836 7.6260 120.6190 55.5506 40.7626 173.4553 33 A 4.4781 8.5042 122.4284 51.9454 19.9867 176.0004 34 M 5.0765 8.9488 122.2857 54.1020 34.2625 175.2376 35 G 4.6102 9.2529 112.8284 44.1783 0.0000 171.5232 36 W 5.4542 8.9004 119.7594 54.7174 32.9021 174.8737 37 F 5.4428 9.6894 122.1896 55.6365 42.9349 174.1140 38 R 5.0524 9.2406 117.2521 54.6426 33.1082 174.3694 39 Q 4.7774 9.2521 121.7936 54.9429 32.6405 173.0710 40 A 5.1237 8.5863 127.8939 49.1000 22.2536 173.7149 41 P 4.3686 0.0000 0.0000 64.4867 31.8291 177.1447 42 G 4.0350 9.1012 110.5701 45.0095 0.0000 173.2925 43 K 4.6638 7.5008 117.9807 53.8626 34.9130 175.7297 44 E 4.0441 8.5718 122.4313 55.9375 30.2200 176.6094 45 R 4.3116 8.5246 125.3744 57.1382 30.9596 175.2581 46 E 4.9726 9.3203 124.6230 54.1462 33.0955 175.3294 47 F 3.9081 9.2704 126.1379 58.8777 39.9769 173.4287 48 V 4.1553 7.4466 122.8544 63.2904 33.5319 174.8031 49 A 4.6435 6.3930 119.2322 51.1010 22.5354 174.3084 50 S 5.2833 8.9821 113.7178 57.3081 67.4368 172.6797 51 I 5.2214 8.8023 119.9217 59.3876 41.7308 174.4738 52 S 4.7501 8.9947 123.1150 57.5127 63.8669 174.9601 53 R 3.7492 8.8182 121.6556 59.6333 29.7719 178.0631 54 S 4.1081 7.9752 110.9551 59.5464 63.0694 175.2801 55 G 3.9741 8.2749 108.2504 45.4495 0.0000 173.6937 56 T 4.3765 7.5708 108.2983 61.4296 70.1877 174.5451 57 L 4.9630 7.8907 123.2377 53.0261 44.1962 175.7803 58 T 5.1629 8.5418 112.6001 59.9196 72.4349 173.0250 59 R 4.7440 8.6432 121.6824 54.9158 33.7743 173.2930 60 Y 5.2628 8.6573 122.2233 55.8146 41.2579 175.4422 61 A 4.3769 9.0758 125.6161 52.0410 19.3638 178.1231 62 D 4.3744 9.1654 119.7549 57.7321 40.9607 179.6562 63 S 3.9666 8.0029 110.4634 59.7602 63.7576 174.5525 64 A 3.2253 7.7723 124.1154 52.9615 19.5487 177.5817 65 K 3.6738 7.0327 115.3674 58.4038 32.2779 177.4612 66 G 3.9339 9.0015 112.4455 45.0783 0.0000 173.5484 67 R 4.6370 7.3778 112.8976 55.1823 31.7280 174.8184 68 F 5.5886 8.1794 117.8660 56.1189 41.8919 175.3439 69 T 4.8087 8.9419 117.7379 61.9913 72.1825 172.6419 70 I 5.0358 9.1175 127.5255 59.5392 39.7950 174.6678 71 S 4.8117 9.0324 122.1438 57.0617 67.0382 172.6089 72 V 4.7695 8.2969 120.0096 61.1800 34.0230 174.2578 73 D 4.7142 8.7174 128.0761 53.0759 41.3151 176.7672 74 N 4.4498 8.9023 124.2767 55.5941 39.1692 176.8818 75 A 4.1407 8.2546 120.6672 54.6590 18.6693 178.3744 76 K 4.2227 8.3571 112.3846 55.9651 33.0903 176.1714 77 N 4.1836 7.8636 116.0135 54.9734 36.5443 173.1437 78 T 4.9454 7.4608 106.4562 59.8887 73.2267 173.9266 79 V 5.0203 9.0339 121.6707 61.3191 34.9971 174.3557 80 S 5.2490 9.2704 122.7832 56.5994 66.7724 172.9619 81 L 4.6393 8.3656 125.4585 53.2047 44.0750 174.7517 82 Q 4.3891 8.9462 129.5403 55.2101 30.7257 174.1730 83 M 4.2148 8.8395 126.7974 53.6751 34.1394 174.8933 84 D 4.9933 8.7390 123.6012 51.3247 43.5082 175.8347 85 N 4.2485 8.4941 115.6960 54.7603 37.4137 174.2903 86 L 4.5161 7.9292 117.8383 54.9939 42.9102 176.5492 87 N 5.3075 9.4511 117.9021 50.5311 40.8102 173.8015 88 P 4.3506 0.0000 0.0000 65.4911 31.4628 178.5160 89 D 4.5493 8.4043 117.2129 56.5077 40.7060 176.7953 90 D 4.7924 8.2141 118.0777 55.1372 41.3582 176.7711 91 T 4.3480 7.8126 116.8723 63.8828 68.8364 173.6078 92 A 4.3483 8.6682 127.2167 51.5911 23.7856 174.9185 93 V 4.3488 8.0786 119.8329 62.7374 32.9561 174.3364 94 Y 5.1381 9.1526 126.0674 56.5884 40.3389 174.2620 95 Y 5.4681 9.6360 121.8288 56.3510 41.6470 172.7921 96 C 4.1767 8.7428 117.3935 54.6353 42.1400 172.1267 97 A 4.5403 8.1422 120.3534 50.4040 22.6037 174.7991 98 A 4.9231 8.5148 122.2594 50.0993 21.9475 175.3140 99 D 4.5964 9.0970 123.4080 52.3436 41.5546 176.9559 100 L 4.2024 8.2360 125.9926 56.9682 41.9848 178.3670 101 H 4.4968 8.2417 115.2569 57.3630 29.0134 175.9674 102 R 4.5057 7.4929 118.7199 53.3344 29.9166 174.0852 103 P 4.2246 0.0000 0.0000 64.3470 32.1942 177.4095 104 Y 4.7608 7.6310 114.8826 59.3874 40.2043 176.4085 105 G 4.1630 7.9677 105.8243 44.2711 0.0000 171.1977 106 P 4.6741 0.0000 0.0000 62.1117 32.2583 176.7047 107 G 4.4512 8.3220 108.1732 46.0455 0.0000 173.7863 108 T 4.3198 8.2274 112.3775 60.7326 70.0057 174.6039 109 Q 2.8761 8.0577 118.5884 56.1089 29.0709 176.3919 110 R 4.5250 8.0094 119.5513 54.6481 30.5607 176.9848 111 S 3.8040 9.0292 119.0959 61.4084 62.4150 176.0017 112 D 4.5827 8.1102 118.2590 56.7466 40.6724 177.0516 113 E 4.1370 8.2686 117.6446 57.7290 30.0952 176.0508 114 Y 4.4955 8.2541 118.1534 56.5234 38.9461 175.8139 115 D 4.9446 8.1938 124.2583 54.1728 42.2697 176.2827 116 S 4.8678 7.5419 114.1943 56.1001 65.7129 172.5036 117 W 5.2484 8.7074 125.1475 54.6061 32.6286 175.3467 118 G 4.0743 9.1714 112.2105 45.9856 0.0000 173.6460 119 Q 4.3387 8.8329 116.9601 56.6410 29.2639 177.2467 120 G 3.6272 8.9549 104.7324 46.0542 0.0000 172.7057 121 T 4.6521 8.2151 114.3482 59.8648 71.3958 172.6738 122 Q 4.4641 8.7325 129.5283 56.0193 30.6701 174.3963 123 V 4.8475 9.0599 126.6087 61.4308 34.4006 174.1915 124 T 4.8907 8.9267 124.1450 61.6994 72.1553 172.9704 125 V 4.8209 8.6082 127.0322 60.9681 33.2164 175.5596 126 S 4.4283 8.9655 122.9408 58.6085 63.2637 174.1641 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 3 Q 8.20 4.35 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 4 L 8.55 4.82 0.00 1.54 1.51 0.69 0.47 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 5 Q 9.65 4.48 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 6 E 8.71 5.13 0.00 2.05 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 2.39 2.62 0.00 7 S 9.32 4.51 0.00 3.91 3.94 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 8 G 8.29 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 0.00 0.00 0.00 9 G 7.85 3.59 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 0.00 0.00 0.00 10 G 8.08 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 5.21 0.00 1.63 1.54 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.54 4.57 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 0.68 0.00 0.00 0.89 0.00 0.00 13 Q 8.93 4.69 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.20 0.00 14 A 8.55 4.23 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 15 G 9.46 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 0.00 0.00 0.00 16 G 7.94 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 17 S 8.41 5.45 0.00 3.68 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 18 L 8.58 4.64 0.00 1.26 1.25 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.40 4.78 0.00 1.77 1.68 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 20 L 8.48 4.79 0.00 0.83 1.47 0.58 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.95 5.46 0.00 3.78 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 22 C 9.44 5.47 0.00 2.96 2.88 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 23 A 8.60 5.19 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 24 A 8.72 5.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 S 8.80 4.07 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.63 5.08 0.00 2.97 2.88 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 33 A 8.50 4.48 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 34 M 8.95 5.08 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 35 G 9.25 4.61 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 0.00 0.00 0.00 36 W 8.90 5.45 0.00 3.08 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 37 F 9.69 5.44 0.00 3.27 3.13 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 0.00 0.00 0.00 38 R 9.24 5.05 0.00 0.99 0.86 0.00 2.47 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 39 Q 9.25 4.78 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 40 A 8.59 5.12 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 41 P 0.00 4.37 0.00 2.06 2.04 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 42 G 9.10 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 43 K 7.50 4.66 0.00 1.89 1.72 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 44 E 8.57 4.04 0.00 1.95 1.89 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 2.34 2.32 0.00 45 R 8.52 4.31 0.00 2.00 1.87 0.00 3.12 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 46 E 9.32 4.97 0.00 1.95 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 2.28 2.46 0.00 47 F 9.27 3.91 0.00 3.11 2.98 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 48 V 7.45 4.16 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 1.24 0.00 0.00 0.98 0.00 0.00 49 A 6.39 4.64 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 50 S 8.98 5.28 0.00 4.20 4.37 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 51 I 8.80 5.22 1.92 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 1.31 1.51 1.00 0.00 0.00 52 S 8.99 4.75 0.00 4.12 3.94 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 53 R 8.82 3.75 0.00 1.78 1.98 0.00 3.20 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 54 S 7.98 4.11 0.00 4.03 4.01 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 55 G 8.27 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 0.00 0.00 0.00 56 T 7.57 4.38 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 1.22 0.00 0.00 57 L 7.89 4.96 0.00 1.65 1.61 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.54 5.16 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 1.23 0.00 0.00 59 R 8.64 4.74 0.00 1.91 1.92 0.00 2.99 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 60 Y 8.66 5.26 0.00 2.93 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 61 A 9.08 4.38 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 62 D 9.17 4.37 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 3.97 0.00 3.90 3.96 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 64 A 7.77 3.23 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 65 K 7.03 3.67 0.00 1.57 1.72 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.72 7.81 66 G 9.00 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 0.00 0.00 0.00 67 R 7.38 4.64 0.00 2.01 2.05 0.00 3.10 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.00 68 F 8.18 5.59 0.00 2.83 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 69 T 8.94 4.81 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 1.27 0.00 0.00 70 I 9.12 5.04 1.87 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.80 0.00 0.00 71 S 9.03 4.81 0.00 3.91 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 72 V 8.30 4.77 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 0.87 0.00 0.00 0.95 0.00 0.00 73 D 8.72 4.71 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.45 0.00 2.75 2.86 0.00 0.00 7.15 7.35 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 75 A 8.25 4.14 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 76 K 8.36 4.22 0.00 1.78 1.88 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.52 7.81 77 N 7.86 4.18 0.00 2.88 2.85 0.00 0.00 6.74 7.59 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 78 T 7.46 4.95 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 1.31 0.00 0.00 79 V 9.03 5.02 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 1.42 0.00 0.00 1.01 0.00 0.00 80 S 9.27 5.25 0.00 3.75 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.64 0.00 0.27 0.16 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.95 4.39 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 83 M 8.84 4.21 0.00 0.90 1.43 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.00 84 D 8.74 4.99 0.00 2.76 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 85 N 8.49 4.25 0.00 2.79 2.84 0.00 0.00 7.04 7.78 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 86 L 7.93 4.52 0.00 1.85 1.59 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 N 9.45 5.31 0.00 2.86 2.88 0.00 0.00 7.19 7.49 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 88 P 0.00 4.35 0.00 2.22 2.17 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 89 D 8.40 4.55 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.79 0.00 2.89 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 91 T 7.81 4.35 4.37 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 1.32 0.00 0.00 92 A 8.67 4.35 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.08 4.35 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 0.56 0.00 0.00 0.99 0.00 0.00 94 Y 9.15 5.14 0.00 2.91 3.09 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 0.00 0.00 0.00 0.00 95 Y 9.64 5.47 0.00 3.24 3.20 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 96 C 8.74 4.18 0.00 1.99 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 97 A 8.14 4.54 -0.46 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 0.00 0.00 0.00 0.00 0.00 98 A 8.51 4.92 0.22 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 99 D 9.10 4.60 0.00 1.58 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 0.00 0.00 0.00 0.00 100 L 8.24 4.20 0.00 1.57 1.67 0.86 1.17 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 0.00 101 H 8.24 4.50 0.00 3.13 3.25 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.49 4.51 0.00 1.74 1.76 0.00 3.18 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 103 P 0.00 4.22 0.00 1.38 1.86 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.49 0.00 104 Y 7.63 4.76 0.00 2.88 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 0.00 105 G 7.97 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 0.00 106 P 0.00 4.67 0.00 2.13 2.25 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 107 G 8.32 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 0.00 0.00 0.00 0.00 108 T 8.23 4.32 4.20 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 1.17 0.00 0.00 109 Q 8.06 2.88 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 110 R 8.01 4.53 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 111 S 9.03 3.80 0.00 3.47 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 0.00 112 D 8.11 4.58 0.00 2.75 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 0.00 113 E 8.27 4.14 0.00 2.04 1.92 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 2.37 2.40 0.00 114 Y 8.25 4.50 0.00 2.77 2.39 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 0.00 115 D 8.19 4.94 0.00 2.55 2.70 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 0.00 0.00 0.00 0.00 116 S 7.54 4.87 0.00 3.69 3.35 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 0.00 117 W 8.71 5.25 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 9.17 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 0.00 0.00 0.00 119 Q 8.83 4.34 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 120 G 8.95 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 0.00 121 T 8.22 4.65 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 1.35 0.00 0.00 122 Q 8.73 4.46 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 123 V 9.06 4.85 2.26 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 0.77 0.00 0.00 0.53 0.00 0.00 124 T 8.93 4.89 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 1.23 0.00 0.00 125 V 8.61 4.82 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 0.84 0.00 0.00 0.99 0.00 0.00 126 S 8.97 4.43 0.00 3.93 3.95 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 * Residues marked with a * may have inaccurate shift predictions.