NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6288 8.3493 120.5307 53.3813 42.2993 175.1080 3 P 4.3375 0.0000 0.0000 60.6183 32.1626 174.0594 4 K 4.7411 8.1925 118.6284 55.3193 36.3421 175.9632 5 H 4.9694 8.0293 114.1091 54.3816 31.6289 172.4105 6 G 4.0395 7.9483 107.4287 45.3403 0.0000 171.7133 7 N 4.9348 8.2376 116.2727 51.5592 41.4877 175.3494 8 L 3.9551 8.4236 125.1601 56.9669 41.8676 177.6354 9 F 4.7489 8.5105 115.8850 57.2353 39.3204 175.5575 10 A 4.4634 7.6747 124.2921 52.2690 19.8753 176.9641 11 D 4.2774 8.5111 118.8335 55.2340 38.4362 175.3271 12 V 3.8720 7.6929 118.3554 61.0966 31.4333 173.8825 13 P 4.4722 0.0000 0.0000 61.7291 30.2591 175.4991 14 V 3.7545 8.1456 124.7229 64.1142 32.0466 176.0455 15 G 3.8876 9.2728 113.4070 45.9405 0.0000 173.3530 16 A 4.0767 7.4720 121.8761 51.6415 18.7759 177.0337 17 P 4.3913 0.0000 0.0000 64.7397 31.6829 176.3133 18 D 5.0939 7.6016 115.1223 51.7881 44.1946 175.1702 19 E 4.3833 8.6249 120.2664 56.6736 30.3721 176.4621 20 I 4.6608 8.2095 123.6882 59.5474 40.0635 174.5783 21 F 5.2067 8.9946 124.5139 55.8535 42.2916 174.9491 22 Q 4.6079 9.1192 121.7480 53.6729 32.8159 172.4932 23 P 4.7315 0.0000 0.0000 63.1404 31.5731 176.1385 24 L 4.4898 8.9667 123.6453 56.1604 43.3038 177.0213 25 L 4.7214 7.6194 119.3551 53.5295 45.8322 174.6061 26 E 5.1998 8.7982 124.3727 54.8519 32.8036 175.1662 27 R 4.5989 9.1211 124.9287 54.2082 34.5502 175.0724 28 K 3.9898 8.6586 120.1772 56.3923 31.8243 175.3376 29 G 4.0138 9.3533 112.1932 44.8687 0.0000 171.9003 30 L 5.1356 8.0219 120.9492 53.2633 46.1116 174.5434 31 K 4.9821 9.1708 126.8129 55.0437 35.8126 174.5375 32 I 5.0916 9.0050 129.1620 59.8344 39.3331 174.6707 33 E 5.1244 9.3848 123.8227 54.8701 33.6553 173.9285 34 R 4.9210 9.2329 121.8057 55.2916 32.2485 174.9502 35 I 4.6327 8.5766 126.0055 59.4219 40.7622 174.3817 36 I 4.9299 8.5021 127.5223 59.8542 39.3727 174.9677 37 S 5.1640 9.5200 123.6432 56.3794 65.6583 174.0433 38 N 4.9286 9.2168 118.0813 52.2573 38.9343 175.5566 39 G 4.0499 8.3994 104.3692 45.0581 0.0000 172.6949 40 Q 4.5059 7.7792 118.1829 55.5411 30.3515 174.5917 41 A 4.9954 8.2188 121.3691 49.9580 22.8562 176.0611 42 S 4.1687 8.8104 116.4321 57.7714 63.5038 173.4339 43 P 4.3695 0.0000 0.0000 61.5686 31.8786 173.8823 44 P 4.3345 0.0000 0.0000 64.5933 31.4414 177.2319 45 G 4.0303 8.9038 110.3837 45.4359 0.0000 173.0168 46 F 4.3207 7.8016 122.3997 57.2496 40.0629 174.6024 47 W 4.6239 7.1228 126.1735 54.7613 32.6808 174.6948 48 Y 4.1945 8.6380 122.3783 58.2153 39.2444 174.9780 49 D 4.7877 8.6460 122.3776 53.8844 43.8215 173.4454 50 S 5.1616 8.6021 121.2755 55.6615 65.2164 172.8304 51 P 4.2659 0.0000 0.0000 64.0684 31.7283 175.8844 52 Q 4.8084 7.9543 119.0496 54.2605 31.6127 174.9966 53 D 4.8806 8.8446 121.6491 54.4663 42.4798 175.0270 54 E 5.1760 9.2768 121.9168 54.1598 33.4060 174.0860 55 W 5.2918 9.4905 135.0000 55.7047 33.6103 174.6196 56 V 5.0994 8.0374 125.6263 59.0182 35.5332 174.0242 *58 V 3.6033 8.1174 118.7404 63.0524 31.8047 175.7248 59 V 3.9786 8.6950 128.4062 64.7594 32.6312 175.8447 60 S 4.4713 7.7726 112.8685 57.7848 65.7422 174.4597 61 G 4.0199 10.4527 110.6746 45.1155 0.0000 172.5496 62 S 4.5403 8.0572 113.8781 57.9782 65.8708 174.0919 63 A 3.8044 7.6828 121.0677 50.7835 22.8184 175.0029 64 G 3.6841 7.0362 106.3995 44.1528 0.0000 172.3849 65 I 5.0171 8.4557 125.2208 59.2900 40.7591 174.2349 66 E 4.9805 9.0056 126.6523 54.7397 32.1295 174.5532 67 C 5.1376 9.6650 125.6252 58.4045 30.2729 173.2381 68 E 3.8067 9.0308 124.1323 57.8231 29.5293 176.2626 69 G 4.1108 8.9704 113.7227 45.8047 0.0000 173.8692 70 D 4.5193 7.9796 119.3335 54.8597 41.2192 176.7671 71 T 4.2201 8.4817 112.0225 63.1992 69.6708 174.3421 72 A 4.7240 7.4630 122.6645 49.8899 22.1165 173.7286 73 P 4.6354 0.0000 0.0000 62.7262 32.5599 176.7152 74 R 4.2087 9.3168 123.7369 55.7875 30.9283 176.9500 75 V 4.4513 8.1778 124.4071 61.8117 33.3179 174.5433 *77 R 4.0407 8.2208 120.6454 54.7231 31.0253 173.2808 78 P 4.4743 0.0000 0.0000 64.8258 31.4343 176.7035 79 G 4.1274 8.9862 111.9472 45.4872 0.0000 173.7182 80 D 4.3839 7.8510 120.3048 53.7531 41.2218 175.6163 81 W 4.9863 7.7865 119.6040 54.5367 31.4816 174.1584 82 L 4.5651 8.3047 120.2006 54.1018 45.3859 173.5719 83 H 5.3015 9.1728 126.2278 54.7978 31.4620 173.9276 84 V 4.1776 9.1136 127.5174 60.4215 32.8262 173.2362 85 P 4.8092 0.0000 0.0000 61.8365 32.7129 176.0263 86 A 4.4196 8.9534 124.4663 53.8388 18.5282 178.1088 87 H 4.8536 9.1104 117.8166 56.2665 27.3115 174.4615 88 C 4.4034 8.0137 121.1863 58.8527 31.8270 173.4245 89 R 5.2258 8.8942 126.2014 56.1849 31.2131 175.3737 90 H 5.8760 8.9935 117.3450 55.2837 32.4390 171.8548 91 R 4.8088 9.0094 114.5695 55.1873 33.4324 174.1187 92 V 4.4799 8.9445 120.2909 61.6172 31.8385 176.2578 93 A 4.2549 8.8457 132.0257 54.6850 18.9875 177.1318 94 W 5.0084 7.3374 109.6078 56.0904 30.7815 173.8035 95 T 5.1004 8.1565 109.7156 59.3876 72.1303 172.4810 96 D 4.7548 8.9324 122.4308 55.5561 41.1857 177.0720 97 G 3.9081 9.1583 113.5699 46.1709 0.0000 173.9550 98 G 3.9953 8.4272 108.1529 45.6158 0.0000 173.0593 99 E 4.6874 7.6740 115.4402 54.3615 32.1349 172.8656 100 P 4.6474 0.0000 0.0000 63.0526 32.4948 176.1605 101 T 4.5134 8.8026 120.2743 62.0244 70.6002 173.6023 102 V 4.7269 8.4184 127.4176 61.0971 33.4747 174.6276 103 W 5.1398 9.4261 127.8320 54.7182 32.9348 174.2850 104 L 5.3288 8.6693 123.3096 53.3696 44.3645 174.8125 105 A 5.1948 9.1714 127.8480 50.1098 22.6266 174.7175 106 V 4.8715 9.2982 120.8116 61.4167 34.8977 173.8896 107 H 5.5799 9.3680 125.4714 54.2503 31.5019 173.1796 108 C 5.6112 8.7121 116.6175 56.7941 33.6405 172.9056 109 D 4.7699 8.6260 118.4910 54.1773 41.2661 176.9514 110 A 4.3098 8.4325 122.9133 52.6314 18.5832 177.5981 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 D 8.35 4.63 0.00 2.67 2.68 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 3 P 0.00 4.34 0.00 2.27 2.05 0.00 3.71 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 2.00 2.02 0.00 4 K 8.19 4.74 0.00 1.79 1.77 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.36 7.81 5 H 8.03 4.97 0.00 3.20 3.27 0.00 5.76 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 6 G 7.95 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.93 0.00 2.71 2.65 0.00 0.00 6.93 6.66 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 8 L 8.42 3.96 0.00 0.96 1.17 0.77 0.80 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 9 F 8.51 4.75 0.00 3.20 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 10 A 7.67 4.46 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 11 D 8.51 4.28 0.00 2.82 2.74 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 12 V 7.69 3.87 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 0.87 0.00 0.00 1.06 0.00 0.00 13 P 0.00 4.47 0.00 2.27 2.23 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 14 V 8.15 3.75 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 0.81 0.00 0.00 1.00 0.00 0.00 15 G 9.27 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 16 A 7.47 4.08 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 17 P 0.00 4.39 0.00 2.06 2.14 0.00 3.63 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 2.04 2.12 0.00 18 D 7.60 5.09 0.00 2.64 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 19 E 8.62 4.38 0.00 1.97 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 2.40 2.37 0.00 20 I 8.21 4.66 1.84 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 1.38 1.08 0.93 0.00 0.00 21 F 8.99 5.21 0.00 2.79 2.91 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 22 Q 9.12 4.61 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 23 P 0.00 4.73 0.00 2.15 2.08 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 24 L 8.97 4.49 0.00 1.51 1.75 0.92 0.90 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 25 L 7.62 4.72 0.00 1.71 1.44 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.80 5.20 0.00 1.83 1.80 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 2.20 2.31 0.00 27 R 9.12 4.60 0.00 1.75 1.76 0.00 3.30 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 28 K 8.66 3.99 0.00 1.77 1.65 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.03 7.81 29 G 9.35 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 0.00 0.00 0.00 30 L 8.02 5.14 0.00 1.73 1.45 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.17 4.98 0.00 1.83 1.63 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.43 7.81 32 I 9.00 5.09 1.88 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 1.28 0.43 0.94 0.00 0.00 33 E 9.38 5.12 0.00 2.17 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 0.00 2.45 2.36 0.00 34 R 9.23 4.92 0.00 1.85 1.81 0.00 3.07 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 35 I 8.58 4.63 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.55 -0.11 0.00 0.00 36 I 8.50 4.93 1.86 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 1.53 0.94 0.00 0.00 37 S 9.52 5.16 0.00 3.92 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 38 N 9.22 4.93 0.00 2.75 2.73 0.00 0.00 7.14 7.62 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 39 G 8.40 4.05 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 0.00 0.00 0.00 40 Q 7.78 4.51 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 41 A 8.22 5.00 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 42 S 8.81 4.17 0.00 3.70 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 43 P 0.00 4.37 0.00 2.17 2.10 0.00 3.27 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 44 P 0.00 4.33 0.00 2.07 2.08 0.00 3.72 0.00 0.00 3.64 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 45 G 8.90 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 46 F 7.80 4.32 0.00 2.88 2.86 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 47 W 7.12 4.62 0.00 2.93 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 48 Y 8.64 4.19 0.00 2.56 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 49 D 8.65 4.79 0.00 2.70 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 50 S 8.60 5.16 0.00 3.95 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 51 P 0.00 4.27 0.00 2.22 2.18 0.00 3.78 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 1.98 1.99 0.00 52 Q 7.95 4.81 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 53 D 8.84 4.88 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 9.28 5.18 0.00 1.96 1.68 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 2.10 2.03 0.00 55 W 9.49 5.29 0.00 3.35 2.92 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 56 V 8.04 5.10 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 0.94 0.00 0.00 1.01 0.00 0.00 *58 V 8.12 3.60 1.98 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 0.70 0.00 0.00 0.01 0.00 0.00 59 V 8.69 3.98 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 0.84 0.00 0.00 0.94 0.00 0.00 60 S 7.77 4.47 0.00 4.24 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 61 G 10.45 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 62 S 8.06 4.54 0.00 3.99 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 63 A 7.68 3.80 0.96 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 0.00 0.00 64 G 7.04 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 65 I 8.46 5.02 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.08 1.01 0.00 0.00 66 E 9.01 4.98 0.00 2.05 1.77 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 2.44 2.38 0.00 67 C 9.67 5.14 0.00 3.24 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 68 E 9.03 3.81 0.00 1.47 1.64 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 1.97 1.47 0.00 69 G 8.97 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 70 D 7.98 4.52 0.00 2.86 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 71 T 8.48 4.22 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 72 A 7.46 4.72 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 73 P 0.00 4.64 0.00 2.20 2.10 0.00 3.80 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 2.27 2.25 0.00 74 R 9.32 4.21 0.00 1.80 1.85 0.00 3.24 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 75 V 8.18 4.45 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 1.10 0.00 0.00 1.16 0.00 0.00 *77 R 8.22 4.04 0.00 1.91 1.88 0.00 3.21 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 78 P 0.00 4.47 0.00 2.03 2.21 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 79 G 8.99 4.13 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 0.00 0.00 0.00 80 D 7.85 4.38 0.00 2.70 2.48 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 81 W 7.79 4.99 0.00 2.34 2.45 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 82 L 8.30 4.57 0.00 1.66 1.42 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.17 5.30 0.00 3.58 3.48 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.11 4.18 1.96 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 0.86 0.00 0.00 0.78 0.00 0.00 85 P 0.00 4.81 0.00 2.11 1.95 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 86 A 8.95 4.42 1.23 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 0.00 0.00 0.00 87 H 9.11 4.85 0.00 3.31 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 C 8.01 4.40 0.00 3.01 3.03 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 89 R 8.89 5.23 0.00 1.64 1.87 0.00 3.34 0.00 0.00 3.38 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.43 0.00 90 H 8.99 5.88 0.00 3.40 3.51 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 9.01 4.81 0.00 1.50 1.41 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.15 0.00 92 V 8.94 4.48 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 0.95 0.00 0.00 93 A 8.85 4.25 1.40 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 0.00 0.00 94 W 7.34 5.01 0.00 3.47 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 95 T 8.16 5.10 4.36 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 1.49 0.00 0.00 96 D 8.93 4.75 0.00 3.01 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 97 G 9.16 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 98 G 8.43 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 99 E 7.67 4.69 0.00 2.05 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 2.39 2.32 0.00 100 P 0.00 4.65 0.00 2.00 2.05 0.00 3.66 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 2.06 2.14 0.00 101 T 8.80 4.51 4.21 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 0.00 0.00 0.00 0.40 0.00 0.00 102 V 8.42 4.73 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 0.97 0.00 0.00 1.02 0.00 0.00 103 W 9.43 5.14 0.00 3.10 2.99 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 0.00 104 L 8.67 5.33 0.00 1.80 1.66 1.02 0.96 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 0.00 105 A 9.17 5.19 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.30 4.87 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 0.91 0.00 0.00 0.99 0.00 0.00 107 H 9.37 5.58 0.00 3.07 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.71 5.61 0.00 2.96 2.99 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 0.00 109 D 8.63 4.77 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.43 4.31 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 * Residues marked with a * may have inaccurate shift predictions.