NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2998 8.4449 121.4723 55.4674 31.1726 175.4703 4 K 4.0522 8.1153 116.8656 55.4421 32.8473 174.9047 5 T 5.1358 8.7143 118.4410 59.7479 70.7856 173.2126 6 C 5.0621 8.6495 116.9547 57.6217 36.1435 173.0911 7 D 5.0125 8.9702 122.5384 52.2892 43.0579 175.5717 8 L 4.5185 8.5718 124.5939 54.5120 42.3657 178.4684 9 V 3.7906 8.9124 125.4116 61.7803 29.5343 175.0376 10 G 3.9271 8.6184 118.2346 43.9368 0.0000 173.4747 *15 E 4.7659 8.4046 117.9627 55.0006 29.8310 174.8861 16 S 4.0338 7.9129 114.0771 59.1068 63.8193 173.6281 17 E 4.1539 8.8322 127.0641 58.4029 29.9638 178.6319 18 K 3.9650 7.9466 120.8434 59.4982 32.3285 178.4217 19 Q 4.0752 7.9501 118.2423 58.3730 28.7971 178.3795 20 L 4.0596 7.6836 120.3652 57.5595 41.6363 179.2464 21 A 4.0494 8.2396 120.9399 55.0412 18.0772 179.6835 22 L 3.9853 7.5253 116.3304 57.8448 41.7841 179.3859 23 L 4.2808 7.9026 119.0750 57.8817 41.4853 179.7540 24 K 4.0775 7.9647 119.3976 58.6467 31.7255 179.4239 25 R 3.9442 7.8252 118.4178 58.4960 30.1902 177.4598 26 L 4.4751 7.4308 117.0430 54.7974 41.4980 178.0514 27 T 2.0000 7.0419 117.5866 65.6122 68.1172 174.0840 28 P 4.2510 0.0000 0.0000 64.4844 31.6752 176.7467 29 L 4.6313 8.0943 117.6167 54.8604 42.7014 178.3450 30 F 4.7165 8.0393 117.1525 59.9064 38.8582 176.2193 31 Q 4.3828 8.0445 115.6778 55.5956 28.7891 175.5020 32 K 4.2389 7.6659 118.0417 55.0699 33.5644 175.7853 33 S 4.2872 7.6988 114.9137 56.4267 64.8000 172.8726 34 F 4.8491 8.5013 125.8641 55.7747 41.0335 174.4846 35 E 5.4028 8.8364 122.7557 55.0916 33.1416 174.2293 36 S 4.8733 9.6322 118.9591 57.6056 66.5765 172.7561 37 T 5.3497 8.7938 123.3030 62.1262 70.6687 173.7177 38 V 4.4842 8.9535 119.1742 60.1176 36.0920 175.8925 39 G 4.4438 9.2169 108.7293 45.6374 0.0000 172.5312 40 Q 4.5977 7.9839 115.3643 53.3769 32.6867 174.8028 41 S 4.2777 8.7465 114.4406 58.7280 62.5481 172.6924 42 P 4.6392 0.0000 0.0000 63.5505 31.7882 175.7027 43 D 4.9166 7.8745 119.4471 55.2718 40.9353 176.2105 44 M 4.7096 8.0702 119.0090 55.5209 33.5507 175.2754 45 Y 4.8532 9.3102 120.7765 56.1383 41.9473 174.3449 46 S 5.1603 9.1708 118.8751 56.9459 64.7709 172.0983 47 Y 5.1046 9.8469 126.6129 56.6584 39.8458 174.6959 48 V 4.8924 8.7099 124.9313 61.0205 34.2511 174.0570 49 F 5.5780 9.5763 130.6566 56.5602 42.4208 173.8548 50 R 4.4494 8.6521 123.2934 54.2691 34.4707 175.3712 51 V 3.7957 7.9701 121.6224 62.3066 31.4835 176.2513 52 C 3.7536 9.0510 123.9806 57.2863 38.1699 173.2308 53 R 4.1216 6.4828 116.2679 53.5485 33.7449 174.4718 54 E 4.4023 8.3052 120.6610 56.1565 30.2312 176.0444 55 A 4.6228 9.1149 130.1142 51.6281 20.8532 177.2616 56 G 3.9756 8.5427 106.6928 45.6079 0.0000 173.2644 57 Q 4.4619 9.5061 116.1489 56.2658 30.3717 176.2055 58 H 5.0665 8.3615 114.6563 55.6157 30.1502 174.6133 59 S 4.5727 7.7545 114.4224 55.9394 63.6214 172.4316 60 S 5.1890 7.5978 117.3279 59.5563 63.1210 175.3589 61 G 3.5436 9.3399 112.8543 45.0041 0.0000 172.7332 62 A 4.3306 7.9563 124.0944 51.9657 19.2478 178.1980 63 G 3.5682 8.9629 109.2510 46.6444 0.0000 173.3142 64 L 5.2416 7.7507 122.4403 54.3585 45.5672 174.4031 65 V 4.9827 8.9577 119.0478 59.6006 36.3453 174.1045 66 Q 4.6449 8.9580 124.3236 54.5208 31.1324 174.1586 67 I 4.8661 8.5762 127.7651 59.2772 40.0606 174.6576 68 Q 3.3241 8.5605 129.4960 55.4779 29.0641 176.7771 69 K 4.0564 8.4733 127.9550 59.6474 32.2398 178.9333 70 S 4.2251 8.2139 114.1075 60.8214 62.6663 174.7735 71 N 4.7683 7.8207 113.7681 51.0422 38.2006 174.9409 72 G 3.8268 8.7948 107.5686 45.2264 0.0000 173.5365 73 K 3.9985 8.3576 122.4908 56.6672 33.0513 175.3412 74 E 5.1777 8.7692 126.7870 55.1638 31.5836 175.3928 75 T 4.6947 8.5167 120.2114 61.5810 71.8799 173.4129 76 V 3.9419 9.3364 127.8593 62.9807 31.8453 176.5721 77 V 3.6882 8.7396 127.9177 64.7739 33.1420 175.7342 78 G 4.3899 7.8617 104.6971 45.2165 0.0000 172.1657 79 R 4.9922 8.6197 121.2779 53.6840 32.9530 176.5764 80 F 4.1446 8.0749 116.9146 56.5644 38.5455 176.2707 81 N 5.1431 7.4890 114.7244 52.7708 38.4811 174.8597 82 E 4.7575 7.8659 117.9247 55.1346 29.5585 174.4148 83 T 5.4216 8.8759 118.8197 62.2988 71.9544 174.9755 84 Q 4.6767 8.9621 122.2551 54.5177 33.6324 173.9561 85 I 4.9288 7.7023 121.6971 59.7109 41.4595 174.0268 86 F 5.0636 9.3703 127.0030 55.7119 43.4036 173.3428 87 Q 4.6032 8.8701 122.5855 54.5064 31.1100 175.1204 88 G 2.8254 7.0785 116.9881 43.2857 0.0000 172.5359 89 S 4.1735 8.4035 113.4223 61.0656 63.0387 175.7059 90 N 5.2734 7.7125 118.6980 50.9111 38.2023 173.1399 91 W 5.6920 7.4460 114.1498 56.6108 32.1701 172.9658 92 I 5.1030 9.4243 121.4486 59.9352 40.7111 173.9682 93 M 5.1267 10.0093 127.4223 53.9670 34.2756 174.0587 94 L 5.1393 8.9072 128.5035 53.3909 45.0554 174.9828 95 I 5.1964 8.9597 126.2281 59.7718 41.3315 173.7792 96 Y 5.5879 9.1856 124.1904 56.5118 40.9843 175.5881 97 K 4.6221 9.4710 124.4114 54.9580 35.7347 176.6490 98 G 3.7084 8.8027 106.4703 46.7130 0.0000 174.1018 99 G 4.0509 7.8589 107.2489 44.0684 0.0000 173.9821 100 D 4.6291 8.6430 119.9352 54.2700 41.6812 176.8771 101 E 4.6143 8.6701 121.8368 56.5252 30.4750 176.4682 102 Y 4.2634 8.8537 120.3761 58.5287 38.8403 177.0043 103 D 4.5471 9.1306 123.4792 57.0266 41.3648 178.4647 104 N 5.1558 7.9154 114.3544 52.0938 37.8528 173.2822 105 H 4.7101 8.1607 113.2900 56.4358 33.1336 173.7109 106 C 4.2191 9.4689 114.8334 58.1701 37.5656 174.8412 107 G 3.9850 8.6649 103.1574 45.6243 0.0000 174.3987 108 R 4.4261 8.3021 115.9075 55.8029 28.3548 176.2058 109 E 4.5905 7.9170 114.6147 55.3314 32.1116 175.9089 110 Q 4.4883 8.5614 119.5615 55.8829 29.4623 176.8482 111 R 4.3235 8.4201 122.6399 56.7397 31.3016 175.4500 112 R 5.2493 8.6920 118.8524 55.1414 33.9968 173.0978 113 A 5.5383 9.4343 127.1682 50.2525 22.2048 175.3139 114 V 4.7769 9.2890 122.1910 61.1057 34.7170 174.3505 115 V 4.7675 9.0740 128.6854 61.4241 33.9143 174.4873 116 M 4.5923 9.2116 129.6755 54.6088 32.9658 175.7212 117 I 4.5750 9.0012 127.0808 60.2177 38.7154 175.5333 118 S 5.0394 9.0491 124.5782 57.1322 64.8198 173.2468 119 C 4.8300 9.0850 124.9744 57.0765 40.1883 172.8408 120 N 4.8590 8.5435 124.4286 52.3105 40.8343 174.6626 121 R 4.1719 8.8522 124.6172 57.8601 30.2528 177.1575 122 H 4.8928 8.1490 114.4307 55.3302 29.4583 173.9161 123 T 4.5483 7.5449 113.4087 60.9357 70.4950 174.3394 124 L 3.9846 8.7418 129.9693 57.8064 42.5639 177.0602 125 A 4.5912 7.0310 116.7054 51.3522 21.8992 174.5605 126 D 4.4674 8.8447 121.4694 54.7366 45.4753 175.0649 127 N 4.4284 8.1954 115.3847 54.2007 35.8324 174.1195 128 F 5.1392 8.3994 119.5370 58.1036 40.7232 174.3527 129 N 4.2326 7.8356 120.6568 51.1031 40.6550 172.1163 130 P 4.2962 0.0000 0.0000 63.1659 31.9082 176.0178 131 V 3.7292 8.5239 123.2923 64.0859 32.2047 176.2300 132 S 4.2333 7.0062 112.7978 56.4004 65.3843 172.3197 133 E 3.9845 8.3509 124.7534 54.6644 30.5624 176.5515 *141 C 4.7346 8.6239 119.8547 56.1295 41.9258 173.5729 142 F 5.0723 7.9798 121.9401 57.9230 41.6226 172.9644 143 Y 4.2029 9.1936 124.6833 56.3187 39.7784 174.3922 144 L 4.7548 7.3942 127.6077 53.3066 44.1690 175.3651 145 F 5.1813 9.2769 124.0672 55.7983 43.9746 173.1673 146 E 5.5950 8.8411 116.7480 55.4753 33.3821 173.7190 147 M 5.2788 8.1285 115.4328 55.9580 34.5335 172.8056 148 D 5.5035 8.9934 119.7367 53.0791 44.1998 175.7488 149 S 5.1516 8.8027 113.3272 57.7177 66.2637 176.6996 150 S 4.3897 9.0409 121.9582 60.4917 63.1253 176.3605 151 L 3.9592 7.7137 120.3878 57.2986 41.3925 177.5673 152 A 4.4447 7.8139 119.5545 52.2161 18.8873 176.2591 153 C 4.8082 7.8432 114.7504 56.2202 41.7225 174.1312 154 S 4.1377 8.2150 116.0323 58.8228 62.4216 173.8692 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 E 8.44 4.30 0.00 1.95 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 2.21 2.36 0.00 4 K 8.12 4.05 0.00 2.01 1.85 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.52 7.81 5 T 8.71 5.14 4.22 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 1.26 0.00 0.00 6 C 8.65 5.06 0.00 2.95 3.12 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 0.00 0.00 0.00 0.00 7 D 8.97 5.01 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.52 0.00 1.76 1.62 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.91 3.79 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 0.75 0.00 0.00 1.02 0.00 0.00 10 G 8.62 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 *15 E 8.40 4.77 0.00 1.96 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 0.00 2.20 2.34 0.00 16 S 7.91 4.03 0.00 3.94 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 17 E 8.83 4.15 0.00 2.24 2.19 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 2.35 2.36 0.00 18 K 7.95 3.97 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.53 7.81 19 Q 7.95 4.08 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 20 L 7.68 4.06 0.00 1.81 1.73 0.94 0.99 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 21 A 8.24 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.99 0.00 1.78 1.75 0.89 1.13 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 23 L 7.90 4.28 0.00 2.03 1.88 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.96 4.08 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.57 7.81 25 R 7.83 3.94 0.00 1.93 2.16 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 L 7.43 4.48 0.00 1.92 1.83 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.04 2.00 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 0.69 0.00 0.00 28 P 0.00 4.25 0.00 2.00 2.07 0.00 3.61 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 1.96 2.01 0.00 29 L 8.09 4.63 0.00 1.97 1.96 1.01 1.27 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 30 F 8.04 4.72 0.00 2.92 3.04 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 31 Q 8.04 4.38 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 32 K 7.67 4.24 0.00 1.63 1.08 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.33 7.81 33 S 7.70 4.29 0.00 3.62 3.49 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 0.00 0.00 0.00 0.00 34 F 8.50 4.85 0.00 2.59 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 35 E 8.84 5.40 0.00 1.97 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 2.31 2.31 0.00 36 S 9.63 4.87 0.00 4.26 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.79 5.35 4.34 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 0.00 0.00 0.00 1.36 0.00 0.00 38 V 8.95 4.48 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 0.79 0.00 0.00 1.33 0.00 0.00 39 G 9.22 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 0.00 0.00 0.00 0.00 40 Q 7.98 4.60 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 41 S 8.75 4.28 0.00 3.84 3.83 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 42 P 0.00 4.64 0.00 2.22 2.15 0.00 3.85 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 1.99 2.00 0.00 43 D 7.87 4.92 0.00 2.95 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 44 M 8.07 4.71 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.80 0.00 45 Y 9.31 4.85 0.00 2.92 2.62 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 46 S 9.17 5.16 0.00 3.87 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 47 Y 9.85 5.10 0.00 3.38 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 48 V 8.71 4.89 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 0.91 0.00 0.00 0.98 0.00 0.00 49 F 9.58 5.58 0.00 2.66 1.84 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 50 R 8.65 4.45 0.00 1.51 1.47 0.00 3.05 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.39 0.00 51 V 7.97 3.80 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 1.15 0.00 0.00 0.79 0.00 0.00 52 C 9.05 3.75 0.00 1.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 6.48 4.12 0.00 1.39 1.48 0.00 3.23 0.00 0.00 2.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 54 E 8.31 4.40 0.00 2.16 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 2.39 2.57 0.00 55 A 9.11 4.62 1.25 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 0.00 0.00 0.00 56 G 8.54 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 57 Q 9.51 4.46 0.00 1.73 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.38 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 58 H 8.36 5.07 0.00 3.12 3.23 0.00 5.60 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.75 4.57 0.00 3.81 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 60 S 7.60 5.19 0.00 3.82 3.80 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 G 9.34 3.54 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 0.00 62 A 7.96 4.33 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 63 G 8.96 3.57 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 0.00 0.00 0.00 64 L 7.75 5.24 0.00 2.14 1.69 0.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.96 4.98 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 0.69 0.00 0.00 0.95 0.00 0.00 66 Q 8.96 4.64 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.38 1.64 0.00 67 I 8.58 4.87 1.90 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 1.09 0.65 0.85 0.00 0.00 68 Q 8.56 3.32 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 1.95 1.43 0.00 69 K 8.47 4.06 0.00 1.63 1.81 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 70 S 8.21 4.23 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 71 N 7.82 4.77 0.00 2.74 2.87 0.00 0.00 6.10 7.00 0.00 0.00 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 G 8.79 3.83 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 0.00 0.00 0.00 73 K 8.36 4.00 0.00 1.87 1.75 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 74 E 8.77 5.18 0.00 1.89 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 2.23 2.50 0.00 75 T 8.52 4.69 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 1.17 0.00 0.00 76 V 9.34 3.94 2.19 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 0.96 0.00 0.00 0.91 0.00 0.00 77 V 8.74 3.69 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 0.70 0.00 0.00 0.80 0.00 0.00 78 G 7.86 4.39 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 0.00 79 R 8.62 4.99 0.00 1.79 1.66 0.00 3.09 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 80 F 8.07 4.14 0.00 2.89 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.49 5.14 0.00 2.76 2.48 0.00 0.00 6.17 7.66 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 82 E 7.87 4.76 0.00 2.12 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 2.19 0.00 83 T 8.88 5.42 4.48 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 1.43 0.00 0.00 84 Q 8.96 4.68 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 85 I 7.70 4.93 1.82 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 1.20 0.88 0.81 0.00 0.00 86 F 9.37 5.06 0.00 3.33 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 87 Q 8.87 4.60 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 88 G 7.08 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 0.00 0.00 0.00 89 S 8.40 4.17 0.00 3.95 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 90 N 7.71 5.27 0.00 2.77 3.01 0.00 0.00 5.67 8.88 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 91 W 7.45 5.69 0.00 3.54 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 92 I 9.42 5.10 1.98 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 1.10 0.68 1.03 0.00 0.00 93 M 10.01 5.13 0.00 2.58 2.20 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 94 L 8.91 5.14 0.00 1.81 1.41 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.96 5.20 2.01 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 1.06 0.00 0.00 96 Y 9.19 5.59 0.00 2.97 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 97 K 9.47 4.62 0.00 1.71 1.79 0.00 1.96 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.48 7.81 98 G 8.80 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 99 G 7.86 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 0.00 100 D 8.64 4.63 0.00 2.52 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.67 4.61 0.00 1.86 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 2.49 2.52 0.00 102 Y 8.85 4.26 0.00 3.08 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 0.00 103 D 9.13 4.55 0.00 2.77 2.78 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 0.00 104 N 7.92 5.16 0.00 2.69 2.82 0.00 0.00 5.80 7.90 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 0.00 105 H 8.16 4.71 0.00 3.18 2.92 0.00 5.96 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 9.47 4.22 0.00 2.32 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 0.00 107 G 8.66 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 0.00 0.00 0.00 108 R 8.30 4.43 0.00 1.98 2.18 0.00 3.14 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 109 E 7.92 4.59 0.00 2.10 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 2.70 2.64 0.00 110 Q 8.56 4.49 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 111 R 8.42 4.32 0.00 1.65 1.79 0.00 2.99 0.00 0.00 2.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.13 0.00 112 R 8.69 5.25 0.00 1.97 1.88 0.00 3.12 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 113 A 9.43 5.54 1.47 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 0.00 0.00 114 V 9.29 4.78 2.49 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 0.96 0.00 0.00 1.12 0.00 0.00 115 V 9.07 4.77 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 0.68 0.00 0.00 0.25 0.00 0.00 116 M 9.21 4.59 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 117 I 9.00 4.58 2.07 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 1.25 0.69 0.96 0.00 0.00 118 S 9.05 5.04 0.00 3.98 3.83 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 0.00 119 C 9.09 4.83 0.00 3.10 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 0.00 120 N 8.54 4.86 0.00 2.80 2.67 0.00 0.00 7.23 7.65 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 0.00 121 R 8.85 4.17 0.00 1.68 1.85 0.00 3.20 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 122 H 8.15 4.89 0.00 3.32 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.54 4.55 4.30 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 1.27 0.00 0.00 124 L 8.74 3.98 0.00 1.68 1.73 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.03 4.59 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.84 4.47 0.00 2.88 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 0.00 127 N 8.20 4.43 0.00 3.01 2.90 0.00 0.00 6.45 8.13 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 0.00 128 F 8.40 5.14 0.00 3.10 3.21 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 0.00 129 N 7.84 4.23 0.00 2.62 2.74 0.00 0.00 6.47 7.26 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 0.00 130 P 0.00 4.30 0.00 1.82 1.58 0.00 3.63 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 131 V 8.52 3.73 1.82 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 0.58 0.00 0.00 0.72 0.00 0.00 132 S 7.01 4.23 0.00 3.70 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 0.00 133 E 8.35 3.98 0.00 1.82 1.84 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 1.92 1.87 0.00 *141 C 8.62 4.73 0.00 3.01 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 7.98 5.07 0.00 2.92 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 0.00 143 Y 9.19 4.20 0.00 3.48 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 0.00 144 L 7.39 4.75 0.00 0.74 0.86 0.78 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.28 5.18 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.84 5.60 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 2.18 2.09 0.00 147 M 8.13 5.28 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 148 D 8.99 5.50 0.00 2.74 2.64 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 0.00 149 S 8.80 5.15 0.00 3.86 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 0.00 150 S 9.04 4.39 0.00 4.04 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 0.00 151 L 7.71 3.96 0.00 1.72 1.79 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.81 4.44 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 0.00 153 C 7.84 4.81 0.00 3.13 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 0.00 154 S 8.22 4.14 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.