NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5645 0.0000 0.0000 62.4970 32.9684 176.3796 3 A 4.1064 9.8153 124.4756 52.8599 18.6547 177.4403 4 I 4.5032 9.3325 107.4423 60.6831 40.5202 174.1203 5 F 4.7569 8.5584 119.4603 56.3027 40.3194 175.5562 6 T 4.5313 8.6772 115.4344 60.4994 70.1354 175.3331 7 H 4.3702 8.7696 116.2911 57.7991 28.5419 175.8050 8 E 4.2463 8.0674 118.5022 55.9452 29.7682 176.1931 9 G 4.1460 8.4667 107.7181 46.4433 0.0000 173.2653 10 K 5.3267 7.9911 117.9675 54.5802 35.1660 175.7176 11 V 4.7809 8.7504 122.6178 60.9986 34.5919 174.0523 12 E 5.1910 8.8391 125.0077 54.2580 32.4733 175.1463 13 G 3.9718 8.2264 108.5535 46.4070 0.0000 171.4795 14 V 4.4159 7.5348 119.8076 60.6196 32.9447 173.5385 15 P 4.1790 0.0000 0.0000 64.6132 31.4965 176.2991 16 G 3.9341 9.3387 111.9697 44.8436 0.0000 173.0586 17 N 5.0723 8.0693 116.9428 50.8311 41.2651 173.4129 18 Y 4.4675 8.7021 121.9639 58.0778 39.0943 174.3295 19 P 3.4101 0.0000 0.0000 62.5835 31.6461 176.1733 20 L 4.6695 8.0955 119.7648 55.0870 42.3147 176.8041 21 T 4.7067 7.7656 108.6994 60.8732 71.2728 174.2244 22 A 3.8878 8.7769 123.5544 55.3029 18.4443 179.8230 23 E 3.9990 8.2236 115.6052 59.6798 29.6653 178.9002 24 N 4.3681 8.3957 117.6174 56.1080 38.5840 177.4352 25 L 3.9677 8.1056 120.3408 57.5521 41.6237 179.2874 26 F 4.2885 8.4727 120.8496 61.4906 39.2981 177.2528 27 R 3.6289 8.2094 118.2146 59.2381 29.7374 178.5263 28 I 3.7613 8.0447 120.1065 64.1855 37.0850 178.5976 29 G 3.6464 8.2473 106.8017 47.6807 0.0000 175.4379 30 L 3.8177 7.7017 122.7826 57.7521 41.9906 178.9823 31 A 3.9439 8.1975 121.0545 54.9941 18.3560 179.6012 32 L 3.9732 8.1892 117.8472 58.1363 41.7514 179.3097 33 C 3.8469 8.0519 118.5568 62.7295 31.2899 175.7093 34 T 3.8344 7.9301 117.3212 66.4197 67.9567 176.3634 35 L 3.9360 8.2410 122.4083 58.0713 42.2638 179.1543 36 W 3.8559 8.4860 118.7717 59.5483 29.0232 178.7023 37 I 4.1399 7.9181 121.1088 64.1334 36.4350 178.5275 38 L 4.0752 8.0431 118.5262 56.9439 41.6380 178.0692 39 D 4.5964 8.3467 116.5259 54.4950 41.9271 177.3497 40 K 4.2462 7.5615 115.4390 54.6910 33.2873 175.3477 41 E 3.7706 7.5638 116.7976 57.4293 27.5961 174.9725 42 I 4.3425 7.4028 120.5520 59.5514 37.1795 176.6526 43 E 4.0585 8.7937 126.2570 58.7217 29.7888 177.5979 44 E 4.7259 7.6582 116.6416 53.4769 29.2095 174.1321 45 P 4.9092 0.0000 0.0000 62.7094 33.6000 175.5219 46 T 5.2419 9.0525 111.7670 59.8905 72.0454 172.4124 47 L 4.7408 8.6792 126.3724 53.0802 45.0701 174.6159 48 S 5.1167 8.6493 121.3804 56.5014 64.3478 172.6924 49 I 4.6428 8.2701 121.0978 58.4682 39.7209 175.1025 50 P 4.3383 0.0000 0.0000 65.1483 31.7371 175.3698 51 E 4.5568 7.5809 114.6477 55.8977 31.7402 174.1671 52 T 4.5147 8.4012 109.5670 60.0705 69.6337 173.5540 53 N 5.0350 8.8005 123.8099 50.0868 41.9832 174.5509 54 F 4.0559 8.9799 121.1107 61.7330 39.2297 177.1024 55 V 3.4230 8.0340 117.1042 66.3086 31.5398 177.9944 56 T 3.9712 8.5354 109.6634 64.6540 68.5641 176.5391 57 L 4.0044 8.2584 121.9844 57.2084 41.5280 179.1122 58 A 3.8575 7.8132 120.8783 55.0089 18.2399 179.6216 59 L 4.1889 7.7030 116.9750 58.1847 41.5040 179.9157 60 S 4.2454 7.8775 113.8067 61.6124 62.8565 176.5664 61 V 3.9388 7.9405 120.1318 66.0476 31.1657 178.0631 62 G 3.4130 8.0678 105.5566 47.4950 0.0000 175.9154 63 F 4.0980 8.1490 119.7063 59.0594 39.3222 176.0003 *65 N 4.6190 8.1943 117.1976 52.8456 40.3758 175.2031 66 A 4.2313 7.3292 118.0610 51.7772 19.0870 177.5809 67 G 4.0234 8.2013 103.3165 44.5980 0.0000 174.1629 68 G 3.7361 7.7913 107.5007 45.2128 0.0000 173.3455 69 S 5.4845 9.0356 117.2819 56.6404 66.1016 173.4813 70 V 4.9250 8.9238 122.2610 61.1733 34.7742 174.0544 71 N 5.1982 8.5766 122.4704 50.0266 41.4331 173.3313 72 V 4.1707 8.0927 120.0339 61.8683 32.2047 175.5674 73 G 3.8422 8.9996 116.3387 46.1017 0.0000 173.5501 74 K 4.3439 8.5896 118.4300 55.7518 32.0624 176.5354 75 G 3.7426 8.0499 108.9309 44.4489 0.0000 172.2422 76 G 4.0047 7.9006 106.3798 44.9464 0.0000 172.1244 77 D 4.6194 8.3767 119.4852 56.5676 41.3240 177.7920 78 I 4.5762 7.6977 118.4337 58.9997 41.0674 174.7161 79 K 4.6402 9.1930 127.2369 54.3475 35.1510 174.1747 80 L 4.7070 8.1931 129.1474 53.2078 43.8282 175.3270 81 F 4.8070 8.9931 124.6141 55.4914 42.2286 174.1299 82 L 4.9933 8.4337 123.5290 53.2824 45.0320 174.9473 83 Q 4.4524 8.7871 127.4970 54.4602 31.1515 175.3437 84 K 3.7613 9.1233 126.5066 55.0599 34.4707 175.3798 85 G 3.7564 8.4981 106.0739 44.6493 0.0000 172.3074 86 E 4.0616 8.8513 120.5179 58.6980 29.7184 177.9102 87 I 4.6957 7.6063 118.6134 59.6780 39.2598 175.3284 88 Y 4.7113 9.1809 125.6755 57.6145 39.8789 174.9561 89 V 4.8272 8.6492 121.7033 61.3409 34.6296 174.2164 90 L 4.9582 9.1744 128.6408 53.4094 44.0824 175.4216 91 E 4.9960 8.8428 123.1879 54.5961 32.7379 173.9808 92 F 5.4233 9.2236 126.0169 56.0231 41.1147 175.3849 93 Q 4.9396 9.2460 121.8973 53.5603 33.1139 172.5095 94 P 5.1346 0.0000 0.0000 61.3878 33.0246 175.1868 95 L 4.8747 8.3486 121.2164 52.4198 45.1969 177.0432 96 S 4.6098 9.2405 119.8046 57.4012 65.7624 175.1016 97 E 4.0493 8.5868 121.0796 59.7672 29.0298 179.7944 98 T 3.9503 7.8328 115.5848 66.4513 68.5535 176.3723 99 D 4.2701 8.1325 120.9580 57.4497 40.7696 178.9430 100 I 3.4793 7.8030 120.2010 64.1725 37.0893 178.6649 101 K 4.0018 8.0298 119.3653 59.4426 31.8356 179.6033 102 K 3.9878 8.2571 118.9609 59.1415 31.8599 179.2048 103 L 3.8535 8.1200 121.0291 58.3555 42.0695 179.0414 104 E 4.0805 8.5389 119.0612 59.1666 29.2089 179.4468 105 S 4.2856 8.2265 114.6794 61.5151 62.7465 176.8137 106 I 3.7082 7.3864 122.1264 63.9115 36.9843 177.1891 107 L 3.9235 7.8323 120.4205 57.8840 41.8621 177.7043 108 F 4.7449 8.4309 114.2462 57.3852 39.4291 176.4590 109 G 3.8719 7.6584 112.7343 45.9311 0.0000 174.9555 110 R 4.2382 8.4601 118.1208 57.9215 31.5399 179.7798 111 A 4.0515 8.4953 116.2541 54.0475 17.1342 179.1302 *113 I 3.9059 8.7539 115.8387 59.4418 39.0172 173.9889 114 P 4.3749 0.0000 0.0000 63.0602 31.7791 175.6028 115 K 4.7640 8.2381 119.6093 54.6980 36.0036 175.7983 116 K 4.6902 9.0508 122.3950 55.5832 34.3433 175.5637 117 T 4.6089 7.8787 110.5088 59.4038 72.9959 175.4580 118 G 3.7145 8.8443 110.6260 46.8765 0.0000 176.2135 119 E 4.2063 8.8189 122.4939 58.0953 29.5557 177.2050 120 D 4.5600 8.1571 118.8910 55.6758 41.3870 176.3071 121 I 4.0554 7.4100 120.5654 60.7570 37.6659 176.4505 122 G 4.5092 8.9725 113.2556 46.0708 0.0000 172.5148 123 S 4.9962 8.6126 115.3657 56.7664 66.0636 172.7094 124 F 5.2036 8.5967 121.3369 56.2670 42.1426 173.4849 125 K 4.5501 8.0797 126.6274 54.4082 35.0848 175.8635 126 C 4.3810 8.8356 123.8348 60.1909 28.1035 173.4400 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 P 0.00 4.56 0.00 2.60 2.28 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 3 A 9.82 4.11 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 4 I 9.33 4.50 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.84 1.22 0.00 0.00 5 F 8.56 4.76 0.00 3.12 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 6 T 8.68 4.53 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 1.32 0.00 0.00 7 H 8.77 4.37 0.00 3.34 3.52 0.00 5.51 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 8 E 8.07 4.25 0.00 1.95 1.99 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 2.04 1.92 0.00 9 G 8.47 4.15 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 0.00 10 K 7.99 5.33 0.00 1.81 1.75 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.41 7.81 11 V 8.75 4.78 1.99 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 0.59 0.00 0.00 0.05 0.00 0.00 12 E 8.84 5.19 0.00 1.99 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 2.16 2.28 0.00 13 G 8.23 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 14 V 7.53 4.42 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 1.01 0.00 0.00 0.94 0.00 0.00 15 P 0.00 4.18 0.00 1.74 1.72 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.75 0.00 16 G 9.34 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 17 N 8.07 5.07 0.00 2.84 2.74 0.00 0.00 6.42 8.17 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 18 Y 8.70 4.47 0.00 2.96 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 19 P 0.00 3.41 0.00 1.75 1.34 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 20 L 8.10 4.67 0.00 1.90 1.71 0.93 0.56 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 21 T 7.77 4.71 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 1.48 0.00 0.00 22 A 8.78 3.89 1.46 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 23 E 8.22 4.00 0.00 2.29 2.28 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 2.46 2.51 0.00 24 N 8.40 4.37 0.00 2.95 2.84 0.00 0.00 7.07 6.34 0.00 0.00 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 8.11 3.97 0.00 1.68 1.68 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.47 4.29 0.00 3.15 3.32 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 27 R 8.21 3.63 0.00 2.09 1.98 0.00 3.17 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 28 I 8.04 3.76 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.87 0.00 0.00 29 G 8.25 3.65 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 0.00 0.00 0.00 30 L 7.70 3.82 0.00 1.32 1.53 0.75 0.69 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 31 A 8.20 3.94 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 32 L 8.19 3.97 0.00 1.97 1.83 0.37 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.05 3.85 0.00 1.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 3.83 4.35 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 1.18 0.00 0.00 35 L 8.24 3.94 0.00 1.88 2.08 0.83 1.15 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 36 W 8.49 3.86 0.00 3.52 3.17 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 37 I 7.92 4.14 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.06 0.94 0.00 0.00 38 L 8.04 4.08 0.00 1.57 1.69 0.90 1.22 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 39 D 8.35 4.60 0.00 2.48 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.25 0.00 1.42 1.50 0.00 1.34 0.00 0.00 0.68 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.31 1.08 7.81 41 E 7.56 3.77 0.00 2.20 2.01 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 2.22 2.22 0.00 42 I 7.40 4.34 2.13 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 1.53 2.07 1.12 0.00 0.00 43 E 8.79 4.06 0.00 1.96 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 2.32 2.28 0.00 44 E 7.66 4.73 0.00 1.81 1.85 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 2.20 2.25 0.00 45 P 0.00 4.91 0.00 2.10 2.10 0.00 3.41 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 46 T 9.05 5.24 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 1.23 0.00 0.00 47 L 8.68 4.74 0.00 0.27 0.52 0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.65 5.12 0.00 3.88 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 4.64 1.80 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 0.82 0.00 0.00 50 P 0.00 4.34 0.00 2.13 2.07 0.00 3.67 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 1.82 0.00 51 E 7.58 4.56 0.00 2.05 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 2.13 2.27 0.00 52 T 8.40 4.51 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 1.42 0.00 0.00 53 N 8.80 5.03 0.00 3.12 3.03 0.00 0.00 6.19 7.44 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 54 F 8.98 4.06 0.00 3.14 3.11 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 55 V 8.03 3.42 2.41 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 1.11 0.00 0.00 0.96 0.00 0.00 56 T 8.54 3.97 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 57 L 8.26 4.00 0.00 1.67 1.61 0.83 0.70 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 58 A 7.81 3.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.70 4.19 0.00 1.96 1.80 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.88 4.25 0.00 4.09 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 0.00 61 V 7.94 3.94 2.36 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 0.95 0.00 0.00 0.96 0.00 0.00 62 G 8.07 3.41 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 63 F 8.15 4.10 0.00 3.25 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 *65 N 8.19 4.62 0.00 3.20 2.97 0.00 0.00 6.94 7.80 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 66 A 7.33 4.23 1.09 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 0.00 0.00 67 G 8.20 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 68 G 7.79 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 69 S 9.04 5.48 0.00 3.81 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 70 V 8.92 4.92 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 0.95 0.00 0.00 1.05 0.00 0.00 71 N 8.58 5.20 0.00 2.64 2.65 0.00 0.00 6.41 7.06 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 72 V 8.09 4.17 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 0.80 0.00 0.00 0.89 0.00 0.00 73 G 9.00 3.84 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 0.00 0.00 0.00 74 K 8.59 4.34 0.00 1.71 1.72 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.46 7.81 75 G 8.05 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 76 G 7.90 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 77 D 8.38 4.62 0.00 2.46 2.83 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 0.00 0.00 0.00 78 I 7.70 4.58 1.36 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.71 0.00 0.00 79 K 9.19 4.64 0.00 1.56 1.42 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.74 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.30 0.89 7.81 80 L 8.19 4.71 0.00 1.29 1.35 0.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.99 4.81 0.00 2.85 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 82 L 8.43 4.99 0.00 1.47 1.39 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.79 4.45 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 84 K 9.12 3.76 0.00 1.43 1.33 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.03 7.81 85 G 8.50 3.76 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 0.00 0.00 0.00 86 E 8.85 4.06 0.00 1.95 2.04 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 2.31 2.43 0.00 87 I 7.61 4.70 1.92 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 0.81 0.96 0.00 0.00 88 Y 9.18 4.71 0.00 2.97 2.87 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 89 V 8.65 4.83 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 0.98 0.00 0.00 0.95 0.00 0.00 90 L 9.17 4.96 0.00 1.60 1.19 1.05 0.62 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 E 8.84 5.00 0.00 2.00 1.85 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 2.30 2.32 0.00 92 F 9.22 5.42 0.00 3.13 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 93 Q 9.25 4.94 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 94 P 0.00 5.13 0.00 2.31 2.17 0.00 4.02 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 2.30 2.19 0.00 95 L 8.35 4.87 0.00 1.70 1.62 0.95 1.14 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 96 S 9.24 4.61 0.00 4.03 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 97 E 8.59 4.05 0.00 2.05 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 2.47 2.45 0.00 98 T 7.83 3.95 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 1.18 0.00 0.00 99 D 8.13 4.27 0.00 2.93 2.69 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 0.00 0.00 0.00 0.00 100 I 7.80 3.48 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.85 0.00 0.00 101 K 8.03 4.00 0.00 1.93 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.63 7.81 102 K 8.26 3.99 0.00 1.90 1.81 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.56 7.81 103 L 8.12 3.85 0.00 1.67 1.58 0.84 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 0.00 0.00 0.00 0.00 104 E 8.54 4.08 0.00 2.17 2.36 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 2.56 2.60 0.00 105 S 8.23 4.29 0.00 4.09 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 0.00 106 I 7.39 3.71 2.00 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 1.39 0.71 0.88 0.00 0.00 107 L 7.83 3.92 0.00 1.54 1.64 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.43 4.74 0.00 3.23 3.06 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 0.00 0.00 0.00 109 G 7.66 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 0.00 0.00 0.00 110 R 8.46 4.24 0.00 1.84 1.85 0.00 3.29 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 111 A 8.50 4.05 1.19 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 0.00 0.00 0.00 *113 I 8.75 3.91 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 0.85 0.00 0.00 114 P 0.00 4.37 0.00 2.01 1.98 0.00 3.59 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 2.01 2.11 0.00 115 K 8.24 4.76 0.00 1.61 1.88 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.36 1.66 7.81 116 K 9.05 4.69 0.00 1.64 1.73 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.57 7.81 117 T 7.88 4.61 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 1.22 0.00 0.00 118 G 8.84 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.82 4.21 0.00 1.98 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 0.00 2.32 2.28 0.00 120 D 8.16 4.56 0.00 2.88 2.69 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 0.00 0.00 0.00 0.00 121 I 7.41 4.06 2.03 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 1.18 0.48 0.95 0.00 0.00 122 G 8.97 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.61 5.00 0.00 3.98 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 0.00 124 F 8.60 5.20 0.00 3.04 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 0.00 125 K 8.08 4.55 0.00 1.74 1.42 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.35 7.81 126 C 8.84 4.38 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.