NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0932 8.0093 121.4510 60.7732 37.2635 174.2419 2 P 4.7613 0.0000 0.0000 60.1824 33.9740 169.9043 3 V 4.5230 7.8431 110.8376 59.8641 36.0337 176.5513 4 T 4.7578 8.2639 113.0703 60.1935 71.7554 172.6286 5 H 4.8080 8.8732 120.8393 54.1568 30.2396 174.4741 6 I 4.5175 8.0566 117.4245 58.5207 39.8404 174.9721 7 K 4.1971 8.5503 124.7360 56.3853 32.7304 176.4948 8 C 5.1440 8.4896 122.5221 54.9864 39.9674 172.9978 9 L 4.4671 8.7001 124.1717 54.0219 43.1438 175.1451 10 R 4.8347 8.5786 127.4008 54.9391 31.8004 175.6633 11 I 4.2470 8.4297 127.1965 59.6161 38.8081 172.1195 12 N 4.1315 9.2730 125.8487 54.3949 36.3381 173.6637 13 G 3.9536 8.4261 104.4647 45.6266 0.0000 171.0779 14 Q 4.4699 7.5179 118.5245 54.4011 32.3397 173.0952 15 I 4.6543 8.2852 125.8449 59.4068 39.0363 174.9825 16 K 4.4256 9.2581 126.3139 55.1155 33.1850 175.1757 17 C 4.4960 8.6846 123.9869 57.9408 41.8682 175.1163 18 V 3.8995 7.6883 119.4728 62.1380 31.5612 175.8354 19 K 4.3950 8.2416 127.2154 54.1154 31.8916 172.5288 20 P 4.3384 0.0000 0.0000 62.5144 31.8549 176.6451 21 I 3.8641 8.3473 117.8102 61.0213 38.2727 176.4450 22 S 4.6637 8.4549 119.4166 55.6664 61.8241 171.6637 23 P 4.7794 0.0000 0.0000 59.6926 30.6145 175.1807 24 N 4.2335 8.5124 123.4510 57.5537 38.8708 175.7294 25 T 4.1325 7.7672 113.9549 61.7244 66.1548 173.4606 26 T 4.6926 7.9061 118.5211 58.8182 72.6094 173.0435 27 P 4.1997 0.0000 0.0000 65.9272 31.5497 178.7851 28 A 3.9804 8.0211 118.5654 55.0568 18.3703 179.3308 29 A 3.9220 7.5635 118.7452 55.4116 18.6090 179.1286 30 E 3.8835 8.9204 118.5290 59.9881 29.4602 178.6261 31 H 4.0637 8.5419 118.1690 59.4440 29.9631 177.1855 32 I 3.6993 7.7343 121.1271 64.3167 36.7272 177.8573 33 E 3.9003 7.9630 119.0518 59.9092 29.8143 178.4680 34 H 4.2570 8.1189 115.8336 58.7124 28.7611 177.9423 35 V 3.5967 8.0240 120.3526 66.0350 31.2033 177.7575 36 R 4.2624 8.0726 115.1319 57.3007 30.1270 178.1181 37 K 4.1181 7.6040 119.2774 57.5885 32.5565 176.1000 38 N 4.5963 7.4334 118.1282 52.0697 39.5943 173.9877 39 P 4.2669 0.0000 0.0000 65.8302 31.3577 178.9000 40 R 3.9454 8.6780 118.6239 58.9997 29.7706 179.1009 41 R 3.8808 7.9680 116.5208 59.0359 30.2731 178.3054 42 K 3.9633 7.9423 117.9749 59.4716 32.3679 178.1899 43 A 4.1274 7.9498 120.5349 55.1730 18.3755 179.4323 44 A 3.7922 7.4476 116.8122 53.7817 18.9422 178.7869 *46 D 4.4889 7.9627 120.4686 55.5612 43.0853 178.3107 47 R 3.9169 8.3283 118.1105 59.0529 29.9088 179.0372 48 A 3.9361 7.9185 119.9023 55.1307 18.3933 179.3915 49 A 3.9251 8.0566 118.5897 55.2892 18.4643 179.5942 50 A 3.9120 8.1215 119.0842 55.3810 17.9829 179.9748 51 R 3.8703 7.8777 116.5171 59.6704 30.1519 179.4653 52 I 3.7803 7.9939 119.2733 64.2128 36.9782 178.3610 53 A 4.0459 8.4159 122.1403 54.9981 18.1223 179.4755 54 D 4.2758 8.0456 117.5123 57.6406 41.0796 179.1195 55 K 4.0096 7.7259 117.8338 59.3378 31.9655 179.6392 56 I 3.6961 7.7529 120.0090 64.2705 36.6309 178.2294 57 A 4.3959 8.1455 123.2093 54.6185 17.9934 179.4924 58 L 3.9437 7.7956 117.6627 58.1904 42.2747 178.7968 59 K 4.0658 7.8984 117.9319 58.5972 32.2448 177.6322 60 A 4.5551 7.5793 118.1740 51.3275 19.6387 176.4245 61 G 4.1018 7.8688 105.1767 44.8769 0.0000 174.2935 62 G 3.8566 7.4515 104.7876 45.4997 0.0000 170.6319 63 E 3.9840 8.2142 120.4835 56.7487 30.0237 177.4174 64 T 5.0275 8.1581 116.6436 60.0844 72.4348 175.3870 65 F 4.0574 8.5138 121.9103 61.3114 39.1422 176.9953 66 V 3.4633 7.7703 116.2858 65.9677 31.5291 177.1086 67 S 4.1901 7.7311 111.5162 61.5877 62.2898 175.6350 68 L 4.0780 7.8858 122.4500 58.0964 41.8971 179.4927 69 R 3.8198 7.2800 115.4788 57.3913 29.9105 177.8566 *71 K 4.2583 7.9934 117.7491 55.8013 33.8904 176.8278 72 K 4.2496 7.9315 115.7495 56.1921 32.2457 176.8650 73 G 3.6965 8.0939 106.5610 46.6389 0.0000 173.3695 74 F 4.8144 7.9362 118.6582 55.1664 40.5827 176.9876 75 T 4.1221 8.7831 117.1463 61.4351 70.6651 174.9053 76 Q 3.9697 8.8645 123.3638 59.8550 28.8590 179.4113 77 S 4.1876 8.0632 113.2459 61.4070 62.4859 175.8118 78 E 4.0368 8.2462 121.2562 59.4632 29.3018 179.0949 79 L 3.7230 8.4915 120.3651 58.0489 42.1182 178.7196 80 A 4.0673 8.1662 120.6821 55.5586 17.9937 179.8523 81 T 3.8411 8.0748 113.8923 66.8145 68.3819 176.8631 82 A 4.0787 8.2741 121.4396 54.5080 18.4188 178.5204 83 A 4.5514 7.8536 116.3448 50.8485 19.4564 176.9491 84 G 3.9335 7.7725 105.5494 47.2126 0.0000 174.0596 85 L 4.8699 7.7777 117.5725 51.6337 44.9659 175.4725 86 P 4.5708 0.0000 0.0000 62.0480 33.3706 177.5368 87 Q 4.0277 8.6915 122.6037 58.8216 29.2365 176.6437 88 P 4.2573 0.0000 0.0000 66.0665 31.4220 177.8404 89 Y 4.1833 8.0586 117.5323 60.5301 38.7752 177.5886 90 L 3.8591 8.0833 121.3976 58.0868 42.0884 178.6437 91 S 4.1170 8.6592 113.4381 61.7481 62.2617 176.5305 92 R 3.8808 7.8387 120.1373 59.2342 29.5273 179.0795 93 I 3.6403 7.2006 118.7650 64.3433 37.0924 178.0203 94 E 4.2621 8.0904 118.1948 58.1594 29.3941 177.2425 95 N 4.7651 7.6328 113.7701 54.2760 41.2000 175.2825 96 S 4.5104 7.7603 111.0971 59.7546 64.5796 175.2801 97 K 4.1687 8.1401 118.6448 56.7897 32.2828 176.9116 98 Q 4.7282 8.9443 119.9287 56.6238 29.6789 175.6103 99 S 4.8025 7.8553 109.7438 56.8670 66.2186 172.6454 100 L 4.5889 7.5793 119.5760 52.2883 44.4205 177.6111 101 Q 4.1490 8.3586 121.4919 55.5650 30.8749 177.0131 102 D 4.2962 8.6301 122.1702 57.6119 41.2823 178.6082 103 K 3.8715 8.1019 119.4119 59.9495 32.0371 178.7187 104 T 3.8731 7.7610 115.3121 66.6120 68.5727 176.4937 105 V 3.5687 7.5154 119.7327 66.3581 31.2924 178.1959 106 Q 3.9373 7.9590 116.8606 58.8943 28.6371 178.3989 107 K 3.8580 7.9940 119.5129 59.7834 32.1546 179.3456 108 L 3.9831 8.4417 119.0780 57.5804 41.5892 179.2464 109 A 4.0081 8.4765 121.1533 55.3042 18.3587 179.4651 110 N 4.2524 8.4340 114.8006 56.4046 38.4368 177.3721 111 A 3.9569 7.6464 120.7250 55.1583 18.5860 179.1304 112 L 4.1318 7.8061 114.5676 54.1433 42.7319 176.8553 113 G 3.9407 7.7792 106.4516 46.7118 0.0000 172.9690 114 V 4.5658 7.7446 109.8314 58.1419 36.5096 176.7784 115 S 4.3922 8.2777 115.7457 57.5903 64.9518 173.1973 116 P 4.2368 0.0000 0.0000 65.9508 31.0774 178.5335 117 L 3.9866 7.9559 118.3093 58.1903 41.9116 178.6448 118 E 3.9327 8.1380 118.2751 59.4521 29.4733 179.1341 119 V 3.7205 7.6294 117.6691 66.4508 31.5260 178.1970 120 R 3.9735 8.6008 117.4398 59.3843 29.7465 178.9584 121 A 4.0677 8.4247 119.2765 54.9763 18.5806 179.4109 122 A 4.6637 8.3262 120.7190 54.9283 18.4891 179.2684 123 F 4.0229 8.5188 119.2503 61.8249 39.4152 176.9407 124 E 4.6006 8.6958 116.2570 57.9606 29.0829 178.1682 125 R 4.3608 7.9191 118.5669 57.2391 30.4234 176.6139 126 R 3.9078 7.3778 113.2571 57.7922 29.9211 175.4821 127 Y 4.6113 7.5230 116.5458 56.2813 40.5418 174.2537 128 E 4.6262 8.3552 120.9888 54.8226 30.6623 174.6149 129 Y 4.3490 8.2647 127.7036 56.9933 40.2000 175.7178 *131 E 4.1062 8.6532 122.0106 57.4538 29.8632 176.4724 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 I 8.01 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 0.91 0.00 0.00 2 P 0.00 4.76 0.00 2.23 2.05 0.00 3.71 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 1.89 2.05 0.00 3 V 7.84 4.52 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 0.78 0.00 0.00 0.96 0.00 0.00 4 T 8.26 4.76 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 5 H 8.87 4.81 0.00 3.10 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.06 4.52 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.92 0.00 0.00 7 K 8.55 4.20 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 8 C 8.49 5.14 0.00 2.84 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 9 L 8.70 4.47 0.00 1.75 1.61 0.91 0.99 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 10 R 8.58 4.83 0.00 1.84 1.81 0.00 3.23 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 11 I 8.43 4.25 1.86 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 1.16 1.31 0.95 0.00 0.00 12 N 9.27 4.13 0.00 2.86 2.78 0.00 0.00 7.23 7.98 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 13 G 8.43 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 0.00 0.00 0.00 14 Q 7.52 4.47 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 15 I 8.29 4.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.95 0.00 0.00 16 K 9.26 4.43 0.00 1.67 1.64 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.34 7.81 17 C 8.68 4.50 0.00 2.98 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 18 V 7.69 3.90 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 0.82 0.00 0.00 0.94 0.00 0.00 19 K 8.24 4.39 0.00 1.87 1.81 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.42 7.81 20 P 0.00 4.34 0.00 2.07 2.06 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 21 I 8.35 3.86 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 1.30 0.41 0.92 0.00 0.00 22 S 8.45 4.66 0.00 3.81 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 23 P 0.00 4.78 0.00 2.20 2.05 0.00 3.87 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 1.90 1.96 0.00 24 N 8.51 4.23 0.00 2.72 2.98 0.00 0.00 7.19 7.54 0.00 0.00 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 T 7.77 4.13 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 26 T 7.91 4.69 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 1.31 0.00 0.00 27 P 0.00 4.20 0.00 2.19 2.17 0.00 3.61 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 2.13 2.18 0.00 28 A 8.02 3.98 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 29 A 7.56 3.92 1.44 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 0.00 0.00 30 E 8.92 3.88 0.00 2.22 2.22 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 2.37 2.48 0.00 31 H 8.54 4.06 0.00 3.43 3.47 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.73 3.70 1.90 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 1.45 0.62 0.93 0.00 0.00 33 E 7.96 3.90 0.00 2.08 2.17 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 2.25 2.33 0.00 34 H 8.12 4.26 0.00 3.38 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.02 3.60 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 1.03 0.00 0.00 0.92 0.00 0.00 36 R 8.07 4.26 0.00 1.96 1.92 0.00 3.20 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 37 K 7.60 4.12 0.00 1.90 1.83 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.41 7.81 38 N 7.43 4.60 0.00 2.89 2.80 0.00 0.00 6.79 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 39 P 0.00 4.27 0.00 2.28 2.27 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 40 R 8.68 3.95 0.00 1.90 2.00 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 41 R 7.97 3.88 0.00 2.01 1.98 0.00 3.22 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 42 K 7.94 3.96 0.00 1.98 1.94 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.41 7.81 43 A 7.95 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 44 A 7.45 3.79 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 *46 D 7.96 4.49 0.00 2.88 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 47 R 8.33 3.92 0.00 1.96 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 48 A 7.92 3.94 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 49 A 8.06 3.93 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 50 A 8.12 3.91 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 51 R 7.88 3.87 0.00 2.15 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 52 I 7.99 3.78 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.91 0.00 0.00 53 A 8.42 4.05 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 54 D 8.05 4.28 0.00 2.95 2.72 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 0.00 0.00 0.00 55 K 7.73 4.01 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 56 I 7.75 3.70 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.90 0.00 0.00 57 A 8.15 4.40 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 58 L 7.80 3.94 0.00 1.85 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.90 4.07 0.00 1.95 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 60 A 7.58 4.56 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 61 G 7.87 4.10 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 0.00 0.00 0.00 62 G 7.45 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 63 E 8.21 3.98 0.00 2.06 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 2.37 2.36 0.00 64 T 8.16 5.03 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 1.24 0.00 0.00 65 F 8.51 4.06 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 66 V 7.77 3.46 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 0.89 0.00 0.00 1.01 0.00 0.00 67 S 7.73 4.19 0.00 3.90 4.18 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 68 L 7.89 4.08 0.00 1.73 1.69 0.89 0.70 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 69 R 7.28 3.82 0.00 1.53 1.88 0.00 3.21 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 *71 K 7.99 4.26 0.00 1.80 1.90 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 72 K 7.93 4.25 0.00 1.96 2.11 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.57 7.81 73 G 8.09 3.70 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 0.00 0.00 0.00 74 F 7.94 4.81 0.00 3.15 2.97 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 75 T 8.78 4.12 4.28 0.00 0.00 0.00 0.00 0.00 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 76 Q 8.86 3.97 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 77 S 8.06 4.19 0.00 4.07 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 78 E 8.25 4.04 0.00 2.48 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 2.35 2.36 0.00 79 L 8.49 3.72 0.00 1.63 1.69 0.45 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.17 4.07 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 81 T 8.07 3.84 4.44 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 1.25 0.00 0.00 82 A 8.27 4.08 1.44 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 0.00 0.00 83 A 7.85 4.55 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 84 G 7.77 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 85 L 7.78 4.87 0.00 1.70 1.69 1.03 0.98 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 86 P 0.00 4.57 0.00 2.22 1.98 0.00 3.69 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 2.06 2.12 0.00 87 Q 8.69 4.03 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 88 P 0.00 4.26 0.00 2.26 2.15 0.00 3.70 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 2.16 2.20 0.00 89 Y 8.06 4.18 0.00 3.01 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 90 L 8.08 3.86 0.00 1.88 1.86 1.08 0.77 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 91 S 8.66 4.12 0.00 4.08 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 92 R 7.84 3.88 0.00 1.95 1.84 0.00 3.22 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 93 I 7.20 3.64 1.70 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 1.09 -0.12 0.21 0.00 0.00 94 E 8.09 4.26 0.00 2.00 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 2.87 2.76 0.00 95 N 7.63 4.77 0.00 2.67 2.75 0.00 0.00 6.88 8.15 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 96 S 7.76 4.51 0.00 3.79 3.85 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 97 K 8.14 4.17 0.00 1.81 1.90 0.00 1.22 0.00 0.00 1.44 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.30 7.81 98 Q 8.94 4.73 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 99 S 7.86 4.80 0.00 3.89 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 0.00 100 L 7.58 4.59 0.00 1.18 1.31 0.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.36 4.15 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 102 D 8.63 4.30 0.00 2.72 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 0.00 103 K 8.10 3.87 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.54 7.81 104 T 7.76 3.87 4.32 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 1.26 0.00 0.00 105 V 7.52 3.57 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 0.95 0.00 0.00 0.85 0.00 0.00 106 Q 7.96 3.94 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 107 K 7.99 3.86 0.00 2.01 2.02 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 108 L 8.44 3.98 0.00 1.93 1.83 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.48 4.01 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 0.00 110 N 8.43 4.25 0.00 2.89 2.88 0.00 0.00 6.94 8.78 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 0.00 111 A 7.65 3.96 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 0.00 112 L 7.81 4.13 0.00 1.57 1.66 0.77 0.42 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 0.00 113 G 7.78 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 0.00 0.00 0.00 114 V 7.74 4.57 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 0.79 0.00 0.00 0.93 0.00 0.00 115 S 8.28 4.39 0.00 4.05 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 0.00 116 P 0.00 4.24 0.00 2.18 2.16 0.00 3.61 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 2.12 2.16 0.00 117 L 7.96 3.99 0.00 1.76 1.68 0.93 0.98 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 0.00 118 E 8.14 3.93 0.00 2.25 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 2.35 2.33 0.00 119 V 7.63 3.72 2.27 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 1.17 0.00 0.00 1.04 0.00 0.00 120 R 8.60 3.97 0.00 1.88 2.02 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 121 A 8.42 4.07 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 0.00 122 A 8.33 4.66 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.52 4.02 0.00 3.32 3.31 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 0.00 124 E 8.70 4.60 0.00 2.25 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 2.85 2.66 0.00 125 R 7.92 4.36 0.00 2.07 1.95 0.00 3.38 0.00 0.00 3.35 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 126 R 7.38 3.91 0.00 1.47 1.58 0.00 2.21 0.00 0.00 2.48 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 127 Y 7.52 4.61 0.00 2.95 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 0.00 128 E 8.36 4.63 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 129 Y 8.26 4.35 0.00 3.00 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 *131 E 8.65 4.11 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 2.19 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.