NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4397 8.3344 115.2902 58.3338 63.5833 172.6412 8 V 4.2767 8.0944 124.1860 61.1750 34.4364 173.5168 *9 F 4.7146 9.0339 125.7755 54.5863 41.7156 172.8499 10 A 4.7639 8.6723 128.4029 49.4657 20.8273 174.4168 11 Y 4.8491 8.5769 123.9885 55.8179 40.7646 174.6505 12 E 4.1011 8.1068 125.0732 54.2290 32.0763 175.2886 13 S 4.0647 7.8825 119.5650 57.3734 62.8345 173.9442 14 S 4.3775 8.5889 121.8154 59.5328 63.6889 175.4872 15 V 4.1477 7.4876 113.7919 62.0682 32.2317 177.0530 16 H 4.0946 7.8815 119.4146 59.3925 29.8013 177.2958 17 S 4.0739 8.0373 115.2137 61.6045 62.8092 176.2730 18 T 3.9775 7.6911 118.9325 66.1114 68.2458 176.5318 19 N 4.3199 8.0346 118.8188 56.1045 38.5235 177.5159 20 V 3.4945 7.4691 119.3230 66.0228 31.5775 177.7023 21 L 3.8934 7.6225 119.5192 57.9644 41.7172 178.6266 22 L 3.9379 7.7584 119.6810 58.3379 41.9827 179.0490 23 S 4.1272 8.1601 114.9809 61.8162 62.7621 176.8403 24 L 4.0398 8.3338 121.9031 57.8211 41.2661 179.1549 25 N 4.2469 8.6772 117.4524 56.5988 38.9090 176.5335 26 D 4.2801 8.3724 119.8224 57.2221 41.3002 178.1098 27 Q 3.9832 8.3891 118.9473 58.9906 28.8946 178.6917 28 R 3.7415 8.0540 119.6044 59.6198 29.7901 178.7133 29 K 3.9716 7.8854 116.7101 59.2316 32.1465 179.0704 30 K 4.0701 8.0433 116.7175 56.3285 32.5408 176.1987 31 D 4.2900 7.6959 117.5127 55.4319 39.9887 173.2224 32 V 4.2714 7.6832 116.8056 61.9626 33.7470 175.2265 33 L 3.7703 8.5759 124.0278 55.7650 39.2402 174.3613 34 C 4.3986 7.3631 115.0166 59.5073 27.7504 173.3753 35 D 4.9762 9.0191 117.7779 53.1741 41.9862 174.9875 36 V 4.9383 7.7268 118.4178 60.6113 35.4864 174.0562 37 T 5.0045 8.7068 118.7617 61.9845 71.6945 172.8579 38 I 4.8918 8.8750 127.8228 59.9023 39.6161 174.6651 39 F 5.1423 9.6197 126.1424 55.9079 41.0248 174.9913 40 V 4.3789 8.6414 124.4194 61.1842 34.2630 175.3814 41 E 3.9133 9.8396 128.0897 57.5673 26.9548 175.0477 42 G 4.0712 8.5875 102.4515 46.4778 0.0000 173.7467 43 Q 4.6540 8.3523 118.5176 53.6189 31.9386 174.6789 44 R 4.2589 8.2510 123.6165 54.9665 31.3427 175.1879 45 F 4.7207 9.0855 126.2745 55.6937 41.4698 175.1682 46 R 4.7608 8.6447 123.0005 56.1346 31.2912 175.7155 47 A 4.5591 8.6007 122.8828 51.8002 23.5990 173.8442 48 H 5.2429 9.2565 115.2580 54.2962 30.3381 176.8553 49 R 3.9510 10.5083 122.9324 59.4044 29.1408 179.1729 50 S 4.1076 8.0668 114.3992 61.3053 62.9575 176.6302 51 V 3.4406 7.6683 121.4658 65.5733 31.4906 177.8445 52 L 3.9148 7.9417 118.5657 57.5851 41.1120 179.4182 53 A 4.2168 8.0469 119.8589 55.1609 18.4358 179.1048 54 A 4.1193 7.8820 118.1993 55.2800 18.7917 178.9283 55 C 4.5176 8.1754 113.5426 59.5551 28.7262 173.6276 56 S 4.9947 7.7962 115.5041 55.7052 65.4103 174.5079 57 S 4.1753 8.7543 124.2854 61.8565 62.4494 176.1071 58 Y 3.7688 7.8065 121.6153 60.9308 38.3062 178.4577 59 F 4.4073 8.2108 118.1605 60.6398 38.9845 177.0733 60 H 4.1593 8.6695 118.2697 59.6089 29.4340 177.5159 61 S 4.1314 7.8433 115.5387 61.5243 62.7417 176.3882 62 R 4.0939 7.5440 118.4243 57.4998 30.2121 177.6287 63 I 4.3851 7.4658 121.5192 63.4073 38.6597 178.4823 64 V 3.5578 7.6187 115.8598 63.3755 31.3817 178.8799 65 G 4.0739 7.8625 105.3521 45.2948 0.0000 174.2790 66 Q 4.1710 7.8058 123.2130 55.6705 30.3911 175.1093 *70 E 4.1096 8.5272 115.5391 56.5443 31.2674 170.8038 71 L 4.8997 8.0981 126.0642 52.2871 44.9967 174.6573 72 N 5.6617 9.0091 123.2472 51.5918 41.4082 173.8254 73 I 4.6274 9.1070 124.6959 59.9318 40.3378 174.6387 74 T 5.0615 8.6910 124.4456 62.1366 69.4994 174.6096 75 L 4.4944 8.7688 128.0782 53.2714 42.9706 175.6008 76 P 4.4568 0.0000 0.0000 62.6119 32.3347 177.3975 77 E 4.0864 8.3963 113.4100 57.9929 29.6790 175.2417 78 E 3.9396 7.7355 116.2142 59.4979 29.7569 177.4167 79 V 3.6870 7.2668 119.4555 62.1712 32.0615 175.7338 80 T 4.6589 7.9994 117.3099 59.6554 72.5396 175.3358 81 V 3.7972 8.7998 124.2827 66.9313 31.3673 179.2261 82 K 4.1239 8.1852 122.0479 59.6567 31.5527 180.5600 83 G 3.9455 7.7990 105.2749 47.2569 0.0000 175.6285 84 F 4.2426 8.6008 123.3819 60.8399 39.5007 176.8579 85 E 3.6908 8.4675 119.3649 59.0765 29.3958 177.1756 86 P 4.3121 0.0000 0.0000 65.3593 31.2507 178.4736 87 L 4.1818 7.4787 117.4433 57.3982 41.3563 178.9005 88 I 3.5797 7.2815 118.6509 63.8824 37.7958 178.0630 89 Q 4.0978 8.0928 119.2921 58.5890 28.5301 178.0543 90 F 4.3923 8.8258 123.3363 60.8706 39.2392 176.9987 91 A 3.8184 8.1160 118.7606 54.6582 18.1705 178.1507 92 Y 4.3607 7.4311 111.3247 58.1476 39.0318 176.4236 93 T 4.3277 7.5625 107.6388 60.1962 70.6523 174.9682 94 A 3.3426 8.3702 123.1638 51.7451 16.5763 177.2050 95 K 4.6577 8.0403 116.5993 54.8769 34.6596 174.9764 96 L 4.8610 8.7346 125.6058 53.2537 43.3241 175.4022 97 I 4.2845 8.3832 127.7626 60.0728 37.7145 175.2505 98 L 5.0237 8.3476 125.4180 53.0431 44.4544 175.9689 99 S 4.7063 9.4610 117.1567 56.0574 66.2274 175.6729 100 K 3.8785 8.9463 126.5693 60.3884 31.2111 179.4894 101 E 4.2758 8.1391 118.8286 58.7679 30.0130 177.7186 102 N 4.6824 7.9331 114.9942 53.4733 37.9504 177.0965 103 V 3.4449 7.6109 121.2657 66.1182 31.5675 177.5291 104 D 4.2408 8.0376 120.8370 57.7216 40.8559 179.0241 105 E 3.9167 7.9462 118.4498 60.9648 29.8479 181.3874 106 V 3.8327 7.8823 119.7599 65.8709 31.7016 177.5983 107 C 3.4183 7.8243 121.0627 62.9167 31.2146 176.4186 108 K 4.0080 7.9826 125.1956 59.8673 31.2979 180.3464 109 C 4.3974 7.9572 118.7887 61.8510 31.4921 175.8884 110 V 3.6615 7.8688 120.4095 65.8153 31.2710 177.5928 111 E 3.9583 8.0960 118.7172 59.1297 29.2743 178.6407 112 F 4.0318 8.1762 119.6827 61.2615 39.8871 176.7752 113 L 3.8846 8.2302 117.0857 54.5206 42.8696 176.4350 114 S 3.9896 7.4119 114.0748 59.4187 60.6482 172.3593 115 V 4.2977 7.7034 118.3163 62.6375 32.2936 175.5839 116 H 4.6141 8.5742 124.7355 56.5600 29.2605 174.2229 117 N 4.3220 8.8217 114.9843 54.7757 35.5285 174.4769 118 I 4.1426 7.8194 120.6812 59.6557 39.0411 176.0251 119 E 3.9003 8.6281 124.4286 56.2474 29.2456 174.5588 120 E 3.4550 8.6239 127.9015 60.2533 29.5707 176.4556 121 S 4.2382 7.6436 116.6106 63.2795 62.0807 180.8097 122 C 2.8583 7.0825 114.1902 60.3792 28.9970 175.7235 123 F 4.4407 7.0543 120.7862 60.4891 38.1456 176.9546 124 Q 3.8248 7.4097 118.5647 58.4983 28.8780 176.9214 125 F 4.6146 7.3715 118.1537 60.2486 39.2516 175.1892 126 L 4.3424 7.5029 123.3941 54.8752 41.5268 176.3219 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 7 S 8.33 4.44 0.00 3.85 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 8 V 8.09 4.28 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 0.77 0.00 0.00 0.93 0.00 0.00 *9 F 9.03 4.71 0.00 2.29 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 0.00 0.00 0.00 10 A 8.67 4.76 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 11 Y 8.58 4.85 0.00 2.81 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 12 E 8.11 4.10 0.00 1.79 1.65 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 2.08 2.15 0.00 13 S 7.88 4.06 0.00 3.54 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 14 S 8.59 4.38 0.00 4.00 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 15 V 7.49 4.15 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 0.80 0.00 0.00 0.98 0.00 0.00 16 H 7.88 4.09 0.00 3.19 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.04 4.07 0.00 4.03 4.09 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 18 T 7.69 3.98 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 1.19 0.00 0.00 19 N 8.03 4.32 0.00 2.86 2.84 0.00 0.00 6.53 7.82 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 20 V 7.47 3.49 1.95 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 1.01 0.00 0.00 0.74 0.00 0.00 21 L 7.62 3.89 0.00 1.90 1.60 0.70 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.76 3.94 0.00 2.06 1.81 0.93 1.00 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 23 S 8.16 4.13 0.00 4.08 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 24 L 8.33 4.04 0.00 1.91 1.89 0.80 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.68 4.25 0.00 3.25 2.99 0.00 0.00 6.83 9.10 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 26 D 8.37 4.28 0.00 2.78 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 27 Q 8.39 3.98 0.00 2.39 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 28 R 8.05 3.74 0.00 1.50 1.72 0.00 2.71 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 29 K 7.89 3.97 0.00 1.72 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.58 7.81 30 K 8.04 4.07 0.00 1.72 1.84 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.63 7.81 31 D 7.70 4.29 0.00 2.78 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 32 V 7.68 4.27 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 0.95 0.00 0.00 0.92 0.00 0.00 33 L 8.58 3.77 0.00 2.00 1.79 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.36 4.40 0.00 2.94 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 35 D 9.02 4.98 0.00 2.73 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 36 V 7.73 4.94 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 0.81 0.00 0.00 1.00 0.00 0.00 37 T 8.71 5.00 4.46 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 0.83 0.00 0.00 38 I 8.88 4.89 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.95 0.00 0.00 39 F 9.62 5.14 0.00 3.02 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 40 V 8.64 4.38 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 0.90 0.00 0.00 0.20 0.00 0.00 41 E 9.84 3.91 0.00 2.20 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 2.22 2.28 0.00 42 G 8.59 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 43 Q 8.35 4.65 0.00 2.23 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 44 R 8.25 4.26 0.00 1.55 1.61 0.00 3.15 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 1.33 1.21 0.00 45 F 9.09 4.72 0.00 3.08 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 46 R 8.64 4.76 0.00 1.63 1.79 0.00 3.49 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 47 A 8.60 4.56 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 48 H 9.26 5.24 0.00 3.19 3.27 0.00 5.83 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 49 R 10.51 3.95 0.00 1.90 2.29 0.00 2.80 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 1.75 1.67 0.00 50 S 8.07 4.11 0.00 4.06 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 51 V 7.67 3.44 2.05 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 0.33 0.00 0.00 0.70 0.00 0.00 52 L 7.94 3.91 0.00 1.59 1.19 0.23 0.94 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 53 A 8.05 4.22 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 54 A 7.88 4.12 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 55 C 8.18 4.52 0.00 3.02 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 56 S 7.80 4.99 0.00 4.09 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 0.00 57 S 8.75 4.18 0.00 3.95 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 58 Y 7.81 3.77 0.00 2.87 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 59 F 8.21 4.41 0.00 3.51 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 60 H 8.67 4.16 0.00 3.62 3.54 0.00 5.78 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 61 S 7.84 4.13 0.00 3.77 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 62 R 7.54 4.09 0.00 1.75 2.02 0.00 2.80 0.00 0.00 2.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 63 I 7.47 4.39 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 0.93 0.00 0.00 64 V 7.62 3.56 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 0.69 0.00 0.00 0.93 0.00 0.00 65 G 7.86 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 66 Q 7.81 4.17 0.00 2.52 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.17 0.00 *70 E 8.53 4.11 0.00 2.01 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 2.13 1.88 0.00 71 L 8.10 4.90 0.00 1.89 1.56 0.97 0.47 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 72 N 9.01 5.66 0.00 2.69 2.86 0.00 0.00 6.92 7.45 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 73 I 9.11 4.63 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.29 1.23 0.00 0.00 74 T 8.69 5.06 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 1.23 0.00 0.00 75 L 8.77 4.49 0.00 1.33 1.36 0.52 1.18 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 76 P 0.00 4.46 0.00 2.08 2.20 0.00 3.47 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.05 0.00 77 E 8.40 4.09 0.00 2.01 1.91 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 2.23 1.90 0.00 78 E 7.74 3.94 0.00 1.27 1.72 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 2.18 2.11 0.00 79 V 7.27 3.69 1.94 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 0.60 0.00 0.00 0.31 0.00 0.00 80 T 8.00 4.66 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 1.16 0.00 0.00 81 V 8.80 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 1.30 0.00 0.00 1.15 0.00 0.00 82 K 8.19 4.12 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.08 7.81 83 G 7.80 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 84 F 8.60 4.24 0.00 3.12 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 85 E 8.47 3.69 0.00 2.28 2.31 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 2.40 2.45 0.00 86 P 0.00 4.31 0.00 2.17 2.09 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 87 L 7.48 4.18 0.00 1.62 1.68 1.04 0.70 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 88 I 7.28 3.58 1.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.62 0.00 0.00 89 Q 8.09 4.10 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 90 F 8.83 4.39 0.00 3.15 3.30 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 91 A 8.12 3.82 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 92 Y 7.43 4.36 0.00 3.03 3.08 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 93 T 7.56 4.33 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 1.25 0.00 0.00 94 A 8.37 3.34 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 95 K 8.04 4.66 0.00 1.86 1.76 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.37 7.81 96 L 8.73 4.86 0.00 1.38 1.41 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.38 4.28 1.91 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 1.46 0.76 0.94 0.00 0.00 98 L 8.35 5.02 0.00 1.68 1.62 1.13 0.97 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 99 S 9.46 4.71 0.00 3.90 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 0.00 100 K 8.95 3.88 0.00 1.87 1.81 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.10 7.81 101 E 8.14 4.28 0.00 1.96 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 2.29 2.36 0.00 102 N 7.93 4.68 0.00 3.03 3.03 0.00 0.00 6.69 7.71 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 0.00 103 V 7.61 3.44 2.05 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 1.09 0.00 0.00 1.08 0.00 0.00 104 D 8.04 4.24 0.00 2.74 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 0.00 105 E 7.95 3.92 0.00 1.97 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 2.31 1.93 0.00 106 V 7.88 3.83 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 0.85 0.00 0.00 0.95 0.00 0.00 107 C 7.82 3.42 0.00 1.72 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 0.00 108 K 7.98 4.01 0.00 1.81 1.80 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 109 C 7.96 4.40 0.00 3.08 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 0.00 110 V 7.87 3.66 2.31 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 1.03 0.00 0.00 1.07 0.00 0.00 111 E 8.10 3.96 0.00 2.22 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 2.30 2.19 0.00 112 F 8.18 4.03 0.00 3.06 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 0.00 113 L 8.23 3.88 0.00 1.94 1.75 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.41 3.99 0.00 4.09 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 0.00 115 V 7.70 4.30 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 0.99 0.00 0.00 1.05 0.00 0.00 116 H 8.57 4.61 0.00 3.28 3.23 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.82 4.32 0.00 3.13 3.08 0.00 0.00 6.72 7.45 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 0.00 118 I 7.82 4.14 1.72 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.61 0.55 0.00 0.00 119 E 8.63 3.90 0.00 1.89 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 2.31 1.87 0.00 120 E 8.62 3.45 0.00 1.97 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 2.32 1.95 0.00 121 S 7.64 4.24 0.00 3.73 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 0.00 122 C 7.08 2.86 0.00 2.80 2.81 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 0.00 123 F 7.05 4.44 0.00 3.06 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 0.00 124 Q 7.41 3.82 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 125 F 7.37 4.61 0.00 3.15 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 0.00 126 L 7.50 4.34 0.00 1.52 1.62 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.