NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2597 8.3033 121.4610 55.9442 31.0986 176.5463 3 K 3.8199 8.4278 125.3096 58.6327 32.2927 178.1062 4 K 3.8894 8.0391 118.6543 59.1258 32.4593 178.8551 5 K 3.4281 7.6478 120.0199 59.1960 32.0092 178.9783 6 V 3.3045 6.9452 118.2172 65.8880 31.5291 177.7303 7 A 3.9470 7.8683 120.3158 55.1949 17.9682 179.3113 8 E 3.8977 7.8305 115.9054 59.4120 29.7036 179.4917 9 W 4.5433 7.8346 118.5345 59.8754 28.9506 178.0890 10 L 3.9994 8.0829 118.8379 58.0030 41.4295 177.9722 11 A 4.5268 7.4398 117.0947 52.0531 19.0163 177.7594 12 Q 3.8839 7.7438 121.7675 58.0155 29.3174 176.0737 13 G 3.9216 8.8716 101.8638 44.7103 0.0000 172.1333 14 S 4.6700 7.9168 112.6836 56.7837 66.7974 173.7973 15 I 4.2081 8.1821 123.5210 59.8555 38.2170 175.2991 16 A 4.2458 8.5288 128.4137 51.1609 19.1808 176.6687 17 V 4.2581 8.1837 123.6124 60.4031 32.2872 174.0112 18 P 4.2387 0.0000 0.0000 63.2438 32.4226 177.1799 19 K 3.9725 8.9498 121.7183 59.7273 31.7427 179.3179 20 L 4.1241 7.9256 118.0245 57.6051 41.8742 178.8097 21 L 4.2373 8.1066 119.7280 58.2519 42.0202 178.2302 22 L 4.2381 7.9813 119.0356 58.5560 42.0695 178.8576 23 G 3.8175 8.4013 102.9401 46.4559 0.0000 173.6836 24 H 4.8418 8.4235 115.6712 54.3118 31.8940 174.5841 25 Y 4.2690 8.1503 120.0239 60.1470 37.4569 178.4174 26 K 4.0935 6.8453 122.1295 58.7163 32.1730 178.6764 27 Q 4.0640 7.3653 115.7471 58.0863 28.6499 177.6364 28 L 4.4068 7.6079 117.6553 54.4554 42.1036 177.1516 29 G 3.9157 7.9542 107.4746 45.3757 0.0000 173.3508 30 L 4.7562 8.0007 119.5558 53.2547 43.3499 176.5129 31 G 4.0568 9.1122 108.9945 43.0777 0.0000 174.8342 32 E 3.8363 8.8051 119.6874 59.3966 29.3594 179.9535 33 G 3.6395 8.0653 104.9358 47.9117 0.0000 175.4354 34 E 3.8647 8.0331 120.5094 58.9109 29.6901 178.5609 35 L 3.6409 7.9058 120.8697 58.4468 41.9822 179.2619 36 V 3.4234 7.7847 117.7577 65.7986 31.3836 177.5254 37 L 3.9318 7.9494 120.0422 58.3907 41.8860 179.0045 38 L 3.8334 8.2455 119.0346 57.6713 41.4968 179.6608 39 L 3.9247 7.7805 118.9983 57.9749 41.5595 179.0993 40 H 4.1442 8.4442 116.5867 58.9407 28.6292 177.2674 41 M 3.7612 8.0505 120.0584 58.7869 31.9777 177.9298 42 Q 3.6346 7.6225 119.3450 59.2447 28.6308 178.4364 43 S 4.0649 7.8844 113.8976 61.2521 62.4384 175.9770 44 F 3.9662 8.4366 120.9547 60.5718 38.6094 177.4526 45 F 4.7227 8.3904 117.3532 61.0674 38.6239 177.5448 46 E 4.2412 8.4856 116.0547 57.8794 29.2053 177.9554 47 E 4.7160 7.6758 116.3947 55.9313 30.6310 177.0241 48 G 3.8610 8.4562 107.3103 46.1850 0.0000 174.4808 49 V 4.2117 7.8879 119.9259 61.7234 31.1647 175.2009 50 L 4.8074 8.5105 127.3892 55.0627 43.1836 176.2907 51 F 5.4239 7.9161 119.3664 55.8927 39.1007 172.5511 52 P 4.3627 0.0000 0.0000 62.6159 32.5283 177.8690 53 T 3.9909 8.7308 112.0004 60.7888 70.9549 173.9163 54 P 4.1985 0.0000 0.0000 66.0516 31.0669 178.7758 55 A 4.0126 7.7870 118.0299 54.7458 18.3495 179.1569 56 E 4.0418 7.8842 117.2793 59.4297 29.3298 179.1951 57 L 4.0472 8.1019 119.2373 58.0077 41.7535 179.4989 58 A 4.1572 8.0742 119.7845 54.2573 18.0993 179.0763 59 E 3.8899 7.6704 117.4802 59.0210 29.7468 178.1864 60 R 4.3932 7.3167 113.5242 55.4106 30.6306 175.6573 61 M 4.8036 7.1878 118.5560 53.3537 34.8999 176.0990 62 T 4.1081 8.2819 109.2286 63.2644 69.5104 175.3947 63 V 4.0267 7.3777 115.7346 60.3848 32.9310 176.3656 64 S 4.4137 8.4232 117.4132 57.8046 65.1506 175.2383 65 A 3.9764 8.4075 123.2911 55.3022 18.0878 179.7904 66 A 3.9237 7.8713 118.8514 54.9152 18.5246 179.3256 67 E 3.7887 8.1315 117.9515 59.5600 29.7328 178.2765 68 C 3.8627 8.4158 119.1292 62.9577 31.4283 175.0978 69 M 3.9201 8.1263 119.5007 58.8918 31.7073 177.7939 70 E 3.9082 8.1970 119.1863 59.4877 29.7900 178.7890 71 M 4.0321 7.9658 118.8247 58.1875 31.9684 178.7813 72 V 3.4661 7.8679 118.4635 65.9762 31.7052 177.5833 73 R 3.8991 8.1162 118.6322 59.9982 29.7875 178.3945 74 R 3.9516 8.4288 117.7239 59.3170 30.0186 179.1422 75 L 3.9628 7.9705 118.7091 57.7235 41.6961 179.4057 76 L 4.2119 8.3120 119.3452 58.0689 41.3357 179.6981 77 Q 4.0486 7.8955 116.9479 58.8414 28.7868 178.5603 78 K 4.2053 8.1799 117.8961 56.8276 32.1504 177.3252 79 G 3.8818 7.6514 106.6465 47.0344 0.0000 174.7005 80 M 4.2627 8.1679 121.2810 55.6383 33.0268 176.3835 81 I 5.0150 7.4722 109.3106 58.9914 41.3464 174.4628 82 A 4.9529 8.9211 123.2884 50.3304 22.8996 174.8232 83 I 4.8197 8.4082 119.7803 59.9439 38.8131 175.3272 84 E 4.5615 9.5487 129.3876 54.9719 33.1464 176.9837 *85 E 4.1880 8.4174 113.7168 55.9161 31.4204 176.4718 *95 E 3.4955 8.3900 117.4291 55.0427 31.6450 175.4046 96 K 4.7602 7.7020 119.2229 55.1847 36.2098 175.6222 97 Y 5.0530 8.6564 120.2438 58.8405 38.9168 175.3570 98 T 4.8304 9.1491 116.0164 60.7705 71.2384 174.3184 99 L 4.4830 9.1442 125.7088 55.8968 43.1243 179.2448 100 E 3.9950 8.2879 120.8784 58.5724 30.0810 177.2800 101 P 4.3805 0.0000 0.0000 64.8726 31.3340 178.3862 102 L 3.7590 8.2304 120.0693 58.0365 41.8570 179.1344 103 W 4.6022 7.7986 118.1249 59.5786 29.1005 178.4171 104 E 4.1222 8.3536 118.5621 59.2520 28.9224 179.3063 105 K 4.0189 8.3132 118.7206 59.3108 32.0546 179.1154 106 L 4.0140 8.4055 121.0031 58.2193 42.0031 179.2651 107 V 3.6633 8.2324 118.3665 66.1427 31.4585 177.0857 108 H 4.1371 8.3253 118.1577 59.9807 29.5729 176.5797 109 H 4.1786 8.5417 119.6629 59.2435 29.6790 177.2370 110 L 3.8959 8.1964 121.0105 57.7480 41.3174 179.0082 111 Y 3.9326 8.3424 117.0761 61.6979 37.8605 178.1733 112 T 3.8191 8.0733 116.1527 67.3811 68.5523 176.0275 113 Q 3.9465 8.4594 119.0167 59.2642 28.9370 179.4489 114 A 3.9403 8.1457 121.2538 54.9809 18.2714 179.5285 115 A 3.9666 8.2698 119.4920 55.5640 18.3194 179.9664 116 Q 4.0556 8.1151 114.9198 58.2883 28.7341 177.9951 117 Q 4.5278 7.3868 117.2488 56.0644 29.1102 175.8321 118 G 4.1568 8.1663 112.4620 44.1238 0.0000 174.4393 119 E 5.6908 7.6237 117.7128 56.1842 31.8033 176.7747 *120 L 4.1530 7.8872 122.8564 54.2912 41.6744 178.0691 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 E 8.30 4.26 0.00 1.96 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 2.20 2.29 0.00 3 K 8.43 3.82 0.00 1.87 1.78 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.55 7.81 4 K 8.04 3.89 0.00 1.74 1.76 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 5 K 7.65 3.43 0.00 1.69 1.07 0.00 1.33 0.00 0.00 1.47 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.95 0.43 7.81 6 V 6.95 3.30 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 1.10 0.00 0.00 0.92 0.00 0.00 7 A 7.87 3.95 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 8 E 7.83 3.90 0.00 1.95 1.93 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 2.33 2.29 0.00 9 W 7.83 4.54 0.00 3.60 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 L 8.08 4.00 0.00 1.69 2.06 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.44 4.53 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 12 Q 7.74 3.88 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 13 G 8.87 3.92 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 0.00 0.00 0.00 14 S 7.92 4.67 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 15 I 8.18 4.21 1.85 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 1.33 0.40 0.91 0.00 0.00 16 A 8.53 4.25 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 17 V 8.18 4.26 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 0.91 0.00 0.00 0.94 0.00 0.00 18 P 0.00 4.24 0.00 2.41 2.02 0.00 4.01 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 19 K 8.95 3.97 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.58 7.81 20 L 7.93 4.12 0.00 1.73 1.84 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.11 4.24 0.00 2.10 2.05 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.98 4.24 0.00 1.76 1.96 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.40 3.82 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 0.00 0.00 0.00 24 H 8.42 4.84 0.00 3.22 3.18 0.00 5.64 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 25 Y 8.15 4.27 0.00 3.20 3.33 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 26 K 6.85 4.09 0.00 1.32 1.34 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.27 7.81 27 Q 7.37 4.06 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 28 L 7.61 4.41 0.00 1.80 1.69 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.95 3.92 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 0.00 0.00 0.00 30 L 8.00 4.76 0.00 2.03 1.63 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.11 4.06 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 0.00 0.00 0.00 32 E 8.81 3.84 0.00 2.06 1.97 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 2.44 2.48 0.00 33 G 8.07 3.64 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 0.00 0.00 0.00 34 E 8.03 3.86 0.00 2.14 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 0.00 2.35 2.33 0.00 35 L 7.91 3.64 0.00 1.19 1.46 0.72 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.78 3.42 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 0.77 0.00 0.00 0.85 0.00 0.00 37 L 7.95 3.93 0.00 1.83 1.81 0.85 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.25 3.83 0.00 1.74 1.57 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.78 3.92 0.00 1.64 1.59 0.83 0.86 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 40 H 8.44 4.14 0.00 3.29 3.40 0.00 5.64 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 41 M 8.05 3.76 0.00 1.53 1.78 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 42 Q 7.62 3.63 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 43 S 7.88 4.06 0.00 3.97 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 44 F 8.44 3.97 0.00 3.23 3.44 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 45 F 8.39 4.72 0.00 3.35 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 46 E 8.49 4.24 0.00 2.00 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 2.64 0.00 47 E 7.68 4.72 0.00 2.16 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 2.51 2.39 0.00 48 G 8.46 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 49 V 7.89 4.21 2.32 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 0.85 0.00 0.00 1.13 0.00 0.00 50 L 8.51 4.81 0.00 1.79 1.63 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.92 5.42 0.00 2.89 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 52 P 0.00 4.36 0.00 1.51 0.87 0.00 4.26 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 53 T 8.73 3.99 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 1.10 0.00 0.00 54 P 0.00 4.20 0.00 2.12 2.21 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 55 A 7.79 4.01 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 E 7.88 4.04 0.00 1.73 1.74 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 2.26 2.21 0.00 57 L 8.10 4.05 0.00 1.69 1.67 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.07 4.16 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 59 E 7.67 3.89 0.00 2.20 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 0.00 2.35 2.36 0.00 60 R 7.32 4.39 0.00 1.75 1.72 0.00 3.11 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 61 M 7.19 4.80 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 62 T 8.28 4.11 4.23 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 1.20 0.00 0.00 63 V 7.38 4.03 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 0.75 0.00 0.00 0.91 0.00 0.00 64 S 8.42 4.41 0.00 4.03 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 65 A 8.41 3.98 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 66 A 7.87 3.92 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 67 E 8.13 3.79 0.00 2.06 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 0.00 2.29 2.30 0.00 68 C 8.42 3.86 0.00 3.00 3.02 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 69 M 8.13 3.92 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 70 E 8.20 3.91 0.00 2.24 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 2.30 2.39 0.00 71 M 7.97 4.03 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 72 V 7.87 3.47 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 1.08 0.00 0.00 0.85 0.00 0.00 73 R 8.12 3.90 0.00 2.12 2.07 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 74 R 8.43 3.95 0.00 1.83 1.96 0.00 3.17 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 1.65 1.68 0.00 75 L 7.97 3.96 0.00 1.79 1.67 0.81 0.44 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 76 L 8.31 4.21 0.00 1.86 1.78 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.90 4.05 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 78 K 8.18 4.21 0.00 1.90 1.86 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 79 G 7.65 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 0.00 0.00 0.00 80 M 8.17 4.26 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 81 I 7.47 5.02 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.85 0.00 0.00 82 A 8.92 4.95 1.28 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 0.00 0.00 83 I 8.41 4.82 1.89 0.00 0.00 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 1.33 0.88 0.71 0.00 0.00 84 E 9.55 4.56 0.00 1.76 1.75 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 2.20 2.22 0.00 *85 E 8.42 4.19 0.00 1.73 1.76 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 2.13 2.37 0.00 *95 E 8.39 3.50 0.00 1.85 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 2.09 2.11 0.00 96 K 7.70 4.76 0.00 1.67 1.73 0.00 1.14 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.31 7.81 97 Y 8.66 5.05 0.00 3.53 3.24 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 0.00 98 T 9.15 4.83 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 1.28 0.00 0.00 99 L 9.14 4.48 0.00 2.04 1.52 1.04 1.00 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 0.00 100 E 8.29 4.00 0.00 2.13 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 0.00 2.56 2.52 0.00 101 P 0.00 4.38 0.00 2.36 2.10 0.00 3.78 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 2.10 2.18 0.00 102 L 8.23 3.76 0.00 1.55 1.07 0.68 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 103 W 7.80 4.60 0.00 3.48 3.19 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 0.00 104 E 8.35 4.12 0.00 2.12 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 2.44 2.69 0.00 105 K 8.31 4.02 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.58 7.81 106 L 8.41 4.01 0.00 1.88 2.07 0.99 1.11 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 0.00 107 V 8.23 3.66 2.26 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 1.35 0.00 0.00 1.10 0.00 0.00 108 H 8.33 4.14 0.00 3.48 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.54 4.18 0.00 3.36 3.57 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.20 3.90 0.00 1.75 1.57 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.34 3.93 0.00 3.33 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 0.00 112 T 8.07 3.82 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 1.20 0.00 0.00 113 Q 8.46 3.95 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 114 A 8.15 3.94 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 0.00 115 A 8.27 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.06 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 117 Q 7.39 4.53 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.04 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 118 G 8.17 4.16 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 0.00 0.00 0.00 119 E 7.62 5.69 0.00 1.87 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 0.00 2.11 2.22 0.00 *120 L 7.89 4.15 0.00 1.45 1.47 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.