NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4178 8.2027 121.7110 55.7338 31.0794 176.1502 4 I 3.8650 7.4075 118.3064 62.9952 38.0727 174.1060 5 E 4.1998 8.8511 117.9698 57.9843 29.9721 177.8439 6 D 4.5184 7.7927 119.5240 57.1089 41.4944 178.5349 7 K 4.0140 7.5896 117.3520 59.5821 32.1146 179.2462 8 I 3.8866 7.7973 119.5408 63.5142 36.8395 177.5660 9 E 4.1749 8.4446 120.7350 58.2757 29.4776 178.0860 10 E 3.9608 8.0237 119.1905 59.2952 30.0286 178.4323 11 I 3.7021 7.8451 119.7546 64.4527 36.8226 178.3192 12 L 4.1408 7.6384 118.3931 57.3964 41.4257 179.6405 13 S 4.1591 7.7304 115.3917 61.4431 62.8490 176.2822 14 K 3.9035 8.2176 121.1959 59.9034 31.6569 179.0768 15 I 3.8747 7.5146 118.6995 64.8871 37.0900 177.5827 16 Y 4.2094 7.6829 120.0001 60.9987 38.7995 177.4499 17 H 4.1512 8.3443 117.5112 58.4464 28.6847 177.1038 18 I 4.0558 8.3171 113.3234 62.2074 37.1513 177.2544 19 E 4.2156 7.6199 120.7934 58.5656 29.6528 178.2195 20 N 4.2478 7.5901 116.5198 56.0336 38.4668 177.1405 21 E 3.8821 8.0155 119.4431 59.6009 29.6934 178.9740 22 I 3.5496 7.3378 118.0732 64.6483 36.9596 178.1852 23 A 3.9196 7.3855 119.1842 55.2717 18.7504 179.2715 24 R 3.9547 7.9838 117.0818 59.5302 30.1109 178.7284 25 I 3.6742 8.4868 120.0598 64.5048 36.9711 178.5346 26 K 4.0211 8.0894 120.0781 59.9711 31.8343 179.8339 27 K 4.1648 7.6339 123.1822 59.4033 31.8733 183.0882 28 L 4.4494 8.2270 121.7926 58.9061 41.7735 180.7877 29 I 3.5792 7.6665 118.9430 64.9382 36.0853 178.6515 30 G 4.2404 8.4162 112.6663 49.3325 0.0000 175.6641 31 E 4.0514 8.0791 111.8444 56.7754 29.6830 178.6970 32 A 4.5438 7.9780 120.2833 53.5644 20.0958 177.5353 *51 D 4.9034 7.5007 114.1184 54.0310 42.5262 176.6299 52 G 4.0222 7.7861 104.6888 44.7964 0.0000 175.7831 53 L 4.0720 7.6476 122.3964 57.4998 41.1463 178.7930 54 I 3.8472 7.7141 117.8743 63.2384 38.1341 176.8317 55 E 4.3750 8.1641 118.6209 57.6815 29.6660 178.4705 56 G 3.7160 7.6780 106.1832 46.9274 0.0000 175.8292 57 L 4.0761 7.8330 122.2669 57.9862 42.0379 178.6735 58 R 4.0990 7.8920 117.3355 58.6289 29.9727 177.7326 59 Q 4.2453 7.5421 118.4427 58.0382 29.4000 177.2723 60 L 3.9347 7.8615 121.1018 58.0299 41.9269 178.7702 61 A 3.9992 7.9506 119.8099 54.3111 18.3101 179.0740 62 N 4.3412 7.5032 116.2431 56.6559 39.1756 176.8843 63 E 3.9578 8.1118 119.7978 59.7194 29.6258 179.2509 64 T 3.8593 7.8817 115.6599 67.2674 68.4067 176.4668 65 T 3.9168 7.3943 112.5567 64.9900 66.9939 175.6520 66 Q 4.1654 7.9254 119.6718 58.6410 28.3748 178.0458 67 A 4.1437 8.3448 121.8237 54.7411 18.3058 179.4551 68 L 4.2994 8.1325 117.4602 57.4471 41.6493 179.1302 69 Q 4.1415 7.7608 116.9106 58.1270 28.7710 178.0030 70 L 4.0976 7.8438 119.5995 57.1575 41.7205 178.9429 71 F 4.2445 7.9377 117.1485 60.0740 38.9181 177.6037 72 L 3.9034 7.9123 120.3664 57.9403 41.7122 179.3383 73 R 3.8663 7.9102 117.7445 59.1077 30.0794 178.7040 74 A 3.9938 7.9350 120.4003 55.7109 18.5819 179.6404 75 T 3.9305 8.6828 115.0698 67.1914 68.5524 176.7493 76 T 4.1396 8.0828 111.1118 64.3085 68.9755 176.7835 77 E 4.0671 7.9336 122.1225 59.1459 29.4149 179.0931 78 L 4.1284 8.0426 119.2757 57.6167 41.7427 179.4070 79 R 3.9178 7.9714 118.2950 59.7648 30.1378 178.5887 80 T 3.8450 7.8763 115.3679 66.7646 68.4068 176.2422 81 F 4.1959 8.2898 122.4237 61.5921 39.3117 177.0802 82 S 3.9929 8.4930 112.5247 60.9656 62.0331 175.9834 83 I 3.9122 7.6377 122.4624 63.6266 36.7267 177.7806 84 L 3.9779 7.6830 121.2333 57.6219 41.9537 178.3207 85 N 4.2683 7.5867 116.3302 55.3571 38.3723 177.0075 86 R 4.0346 7.4352 118.9069 58.4843 29.8083 178.1867 87 K 3.9118 7.6944 119.6904 59.2661 32.1509 178.7264 88 A 4.0139 7.7533 121.2505 55.2895 18.2776 179.7681 89 I 3.8135 7.7627 117.9875 64.2972 36.8369 178.4092 90 D 4.4244 8.1468 119.7908 56.9067 41.0470 178.2619 91 F 4.3439 7.9820 120.8562 61.4626 39.3086 177.3801 92 L 4.0889 8.0040 117.0956 57.6495 41.7957 177.9926 93 L 4.7889 7.8610 117.1444 54.8696 42.1187 178.3746 94 Q 4.0072 8.1600 122.8953 59.1688 29.0849 178.8823 95 R 4.4640 7.6366 113.8532 55.2505 28.8279 177.4081 96 W 4.6918 8.1818 113.3013 58.9879 32.8307 175.7464 97 G 3.6920 8.0006 107.7499 44.6554 0.0000 175.0380 98 G 4.1213 8.3384 104.9263 45.5612 0.0000 174.8295 99 T 3.8521 8.5875 115.4756 66.9823 68.3316 177.4584 100 C 4.4157 8.3245 117.3312 59.8473 39.8686 175.8401 101 H 4.1985 8.2005 117.7698 58.7858 28.6980 177.4279 102 I 3.8568 7.7283 119.6390 63.6754 37.0995 177.4922 103 L 4.3876 8.6433 118.7125 55.7300 42.8385 177.1781 104 G 3.8169 8.0416 105.0304 43.9433 0.0000 171.7800 105 P 4.3802 0.0000 0.0000 64.9612 31.2370 177.6634 106 D 4.5786 8.0426 117.3570 55.9391 40.5937 176.6393 107 C 4.4325 8.0030 114.8156 57.8304 41.6550 175.3007 108 R 3.9857 7.8180 119.7518 56.8515 30.1801 177.0064 109 I 3.7799 7.0332 120.2565 61.4193 37.5010 175.0028 110 E 4.6762 8.2123 124.4303 53.6594 32.8290 172.6217 111 P 4.4430 0.0000 0.0000 62.3223 32.0326 176.4767 112 H 4.1949 8.4891 120.2435 55.5421 29.3123 175.1264 113 D 4.5460 7.7204 120.9278 53.1170 39.9672 175.7916 114 W 4.7914 8.1724 123.2577 56.8185 29.2148 177.4343 115 T 3.9368 8.1360 117.5556 66.9154 67.8894 175.8180 116 K 3.9168 8.0375 120.3270 59.7044 32.2052 178.1171 117 N 4.3589 8.3363 116.0467 56.8248 38.7074 177.3342 118 I 3.7728 8.3278 121.2274 64.5138 37.1277 178.7538 119 T 3.8960 8.2765 117.0579 66.8939 68.4329 176.3968 120 D 4.4189 8.7238 121.0288 57.2679 40.7927 178.9125 121 K 4.0203 7.9211 120.3763 59.4826 31.7403 179.0559 122 I 3.8345 7.7923 119.7168 64.0913 36.9813 177.9351 123 D 4.5280 8.1111 119.9012 56.6044 40.6447 178.5983 124 Q 3.9559 7.8381 119.9638 59.4290 29.2756 178.0410 125 I 3.8051 7.7176 120.7390 64.9076 37.0627 178.0902 126 I 3.8315 7.6360 119.7318 63.9958 37.0516 177.4268 127 H 4.0347 8.5989 118.7046 59.9734 29.5731 177.1975 128 D 4.3912 8.6698 119.1806 56.5948 40.7250 177.6358 129 F 4.6375 8.2445 115.5497 58.7748 41.0252 177.1654 130 V 3.8455 7.8275 116.4006 65.9013 31.8431 176.7405 131 D 4.4629 8.9468 121.0867 58.0354 41.1004 177.2991 132 K 4.5907 7.6465 123.6878 54.1542 31.2515 177.3636 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 Q 8.20 4.42 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 4 I 7.41 3.87 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 1.52 1.34 0.91 0.00 0.00 5 E 8.85 4.20 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 2.31 2.46 0.00 6 D 7.79 4.52 0.00 2.85 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 7 K 7.59 4.01 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 8 I 7.80 3.89 1.98 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 1.41 1.15 0.91 0.00 0.00 9 E 8.44 4.17 0.00 2.23 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 2.27 2.33 0.00 10 E 8.02 3.96 0.00 2.08 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 0.00 2.38 2.40 0.00 11 I 7.85 3.70 1.95 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 1.53 0.79 0.92 0.00 0.00 12 L 7.64 4.14 0.00 1.99 1.71 0.95 1.07 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 13 S 7.73 4.16 0.00 3.95 3.89 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 14 K 8.22 3.90 0.00 1.86 1.88 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.58 7.81 15 I 7.51 3.87 1.90 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 1.42 0.71 0.94 0.00 0.00 16 Y 7.68 4.21 0.00 3.04 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 17 H 8.34 4.15 0.00 3.37 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.32 4.06 1.86 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 1.51 0.80 0.99 0.00 0.00 19 E 7.62 4.22 0.00 2.13 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 2.26 2.55 0.00 20 N 7.59 4.25 0.00 2.79 2.73 0.00 0.00 6.87 7.05 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 21 E 8.02 3.88 0.00 1.93 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 2.35 2.32 0.00 22 I 7.34 3.55 1.97 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 1.59 0.89 0.89 0.00 0.00 23 A 7.39 3.92 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 24 R 7.98 3.95 0.00 1.88 2.06 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 25 I 8.49 3.67 2.06 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 1.51 0.70 0.90 0.00 0.00 26 K 8.09 4.02 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 27 K 7.63 4.16 0.00 1.90 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 28 L 8.23 4.45 0.00 1.67 1.72 0.91 0.92 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 29 I 7.67 3.58 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 1.45 0.60 0.91 0.00 0.00 30 G 8.42 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 0.00 0.00 0.00 0.00 31 E 8.08 4.05 0.00 2.03 1.86 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 2.26 2.14 0.00 32 A 7.98 4.54 1.27 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 0.00 0.00 *51 D 7.50 4.90 0.00 2.70 2.75 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 0.00 0.00 0.00 52 G 7.79 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 53 L 7.65 4.07 0.00 2.01 1.74 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.71 3.85 1.87 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 1.64 1.35 0.95 0.00 0.00 55 E 8.16 4.37 0.00 2.20 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 2.31 2.32 0.00 56 G 7.68 3.72 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 0.00 0.00 0.00 57 L 7.83 4.08 0.00 1.83 1.75 1.01 1.06 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 58 R 7.89 4.10 0.00 2.00 2.09 0.00 3.15 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 59 Q 7.54 4.25 0.00 2.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 60 L 7.86 3.93 0.00 1.97 1.63 0.89 0.76 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 61 A 7.95 4.00 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 62 N 7.50 4.34 0.00 3.02 2.95 0.00 0.00 7.02 7.53 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 63 E 8.11 3.96 0.00 2.04 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 2.47 2.53 0.00 64 T 7.88 3.86 4.33 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 1.16 0.00 0.00 65 T 7.39 3.92 4.54 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 1.26 0.00 0.00 66 Q 7.93 4.17 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 67 A 8.34 4.14 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 68 L 8.13 4.30 0.00 1.76 1.77 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.76 4.14 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 70 L 7.84 4.10 0.00 1.65 1.50 0.83 1.09 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 71 F 7.94 4.24 0.00 3.12 3.03 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 0.00 0.00 0.00 72 L 7.91 3.90 0.00 1.89 1.87 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.91 3.87 0.00 2.01 1.95 0.00 3.17 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 1.66 1.80 0.00 74 A 7.94 3.99 1.34 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 0.00 0.00 0.00 75 T 8.68 3.93 4.59 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 1.32 0.00 0.00 76 T 8.08 4.14 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 77 E 7.93 4.07 0.00 2.17 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 2.33 2.47 0.00 78 L 8.04 4.13 0.00 1.94 1.80 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.97 3.92 0.00 2.09 2.11 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 80 T 7.88 3.85 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 81 F 8.29 4.20 0.00 3.20 3.28 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 82 S 8.49 3.99 0.00 3.94 4.17 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 83 I 7.64 3.91 2.01 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 1.37 0.75 0.89 0.00 0.00 84 L 7.68 3.98 0.00 1.98 1.50 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.59 4.27 0.00 2.67 2.70 0.00 0.00 6.50 7.51 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 86 R 7.44 4.03 0.00 1.94 2.02 0.00 3.14 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 87 K 7.69 3.91 0.00 1.81 1.98 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 88 A 7.75 4.01 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 89 I 7.76 3.81 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.90 0.00 0.00 90 D 8.15 4.42 0.00 2.92 2.79 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 91 F 7.98 4.34 0.00 3.14 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 92 L 8.00 4.09 0.00 1.82 1.88 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.86 4.79 0.00 1.81 1.75 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.16 4.01 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.18 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 95 R 7.64 4.46 0.00 1.39 1.72 0.00 2.46 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 96 W 8.18 4.69 0.00 3.60 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 97 G 8.00 3.69 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 0.00 0.00 0.00 98 G 8.34 4.12 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 0.00 0.00 0.00 99 T 8.59 3.85 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 1.20 0.00 0.00 100 C 8.32 4.42 0.00 2.94 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 0.00 101 H 8.20 4.20 0.00 3.39 3.40 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.73 3.86 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.53 0.75 0.00 0.00 103 L 8.64 4.39 0.00 1.63 1.69 0.90 1.17 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 0.00 104 G 8.04 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 0.00 105 P 0.00 4.38 0.00 2.16 2.10 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 106 D 8.04 4.58 0.00 2.67 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 0.00 107 C 8.00 4.43 0.00 3.13 3.27 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 0.00 108 R 7.82 3.99 0.00 2.02 2.02 0.00 3.16 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 109 I 7.03 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 1.19 0.46 0.91 0.00 0.00 110 E 8.21 4.68 0.00 1.81 1.66 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 0.00 2.13 2.28 0.00 111 P 0.00 4.44 0.00 2.09 2.02 0.00 3.70 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 2.03 2.10 0.00 112 H 8.49 4.19 0.00 2.23 2.27 0.00 5.87 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 0.00 113 D 7.72 4.55 0.00 2.50 2.46 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 0.00 114 W 8.17 4.79 0.00 3.49 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 0.00 115 T 8.14 3.94 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 1.25 0.00 0.00 116 K 8.04 3.92 0.00 1.88 1.84 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.53 1.77 7.81 117 N 8.34 4.36 0.00 3.26 3.03 0.00 0.00 7.06 7.32 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 0.00 118 I 8.33 3.77 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.95 0.00 0.00 119 T 8.28 3.90 4.54 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 1.24 0.00 0.00 120 D 8.72 4.42 0.00 2.79 2.74 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 0.00 121 K 7.92 4.02 0.00 1.82 1.79 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.51 7.81 122 I 7.79 3.83 2.03 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 1.53 1.18 0.93 0.00 0.00 123 D 8.11 4.53 0.00 2.96 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 0.00 124 Q 7.84 3.96 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 125 I 7.72 3.81 1.85 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 1.40 1.03 0.74 0.00 0.00 126 I 7.64 3.83 2.08 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 1.44 0.59 0.98 0.00 0.00 127 H 8.60 4.03 0.00 3.24 3.49 0.00 5.59 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 0.00 128 D 8.67 4.39 0.00 3.21 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 0.00 129 F 8.24 4.64 0.00 3.04 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 0.00 130 V 7.83 3.85 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 0.82 0.00 0.00 0.99 0.00 0.00 131 D 8.95 4.46 0.00 2.81 2.68 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 0.00 132 K 7.65 4.59 0.00 1.82 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.