NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.4227 8.3449 119.6974 55.5934 30.4510 174.9297 2 S 4.3666 8.8396 118.3454 60.8495 63.9390 169.3921 3 V 5.1117 8.6016 111.7721 59.7976 35.8677 175.1368 4 T 4.6395 9.7464 121.6109 61.9267 72.2149 172.9814 5 Q 5.1592 8.7103 125.7220 53.5078 29.9638 174.6869 6 P 4.4373 0.0000 0.0000 64.2260 31.7877 176.2189 7 D 4.8905 7.5362 118.2588 52.4070 43.3108 175.6985 8 A 4.3409 8.6468 125.9466 54.3042 19.8534 177.2210 9 R 5.1391 7.8021 111.8796 54.8462 34.4913 175.4919 10 V 4.5796 8.9270 114.8313 60.0047 36.3039 174.3974 11 T 5.1485 8.5487 120.2524 61.9739 71.1765 173.8298 12 V 4.5807 8.5290 118.0714 59.6424 36.7548 175.0104 13 S 4.7761 8.4960 118.5991 57.7048 64.3758 173.5600 14 E 3.8379 8.2184 124.1741 58.0071 29.5340 177.7093 15 G 4.0756 9.0308 114.5882 44.5803 0.0000 173.1698 16 A 4.3693 7.6372 121.8974 51.4340 20.3259 176.4030 17 S 5.2262 8.3172 114.7388 57.0790 64.3676 173.9187 18 L 4.5719 9.1832 126.6955 53.2413 44.1642 174.5591 19 Q 4.9587 8.6109 127.1854 54.2766 31.3603 174.1336 20 L 4.6385 8.3869 126.8812 52.9689 43.9345 175.9427 21 R 4.5717 8.6233 123.5417 55.8807 31.4513 176.5741 22 C 5.4434 9.3483 122.2840 54.9688 45.8821 172.5749 23 K 5.4349 9.5471 124.4532 54.7559 36.1918 174.6980 24 Y 5.4011 8.7599 121.4333 55.4267 40.8179 175.9896 25 S 4.7593 9.0317 115.2839 57.9118 64.4528 173.1579 26 Y 4.1141 8.6490 122.1898 58.3859 38.5360 176.0644 27 S 4.2135 8.3634 122.4623 61.0059 63.8831 175.2061 28 A 4.1072 6.5690 122.4332 51.5405 19.2136 175.8463 29 T 3.8442 8.4078 113.8310 62.9418 68.4092 172.6425 30 P 3.9790 0.0000 0.0000 62.2520 31.5789 175.1910 31 Y 4.4779 7.8838 121.9808 56.3007 39.5930 174.7561 32 L 5.0281 7.8829 124.4188 52.8624 45.2281 175.8679 33 F 5.5385 9.0966 119.3471 55.9951 44.0877 173.3420 34 W 5.3772 9.4458 121.6064 55.3261 32.0021 174.4455 35 Y 5.3450 10.0420 121.8850 56.1335 41.5950 174.7584 36 V 4.2842 8.9641 122.4988 59.7321 34.2327 174.1432 37 Q 4.7299 8.7643 126.4709 54.3707 31.2291 174.0743 38 Y 4.7348 8.2663 124.3485 56.3762 39.7977 173.3968 39 P 4.3403 0.0000 0.0000 64.6235 31.8611 176.2802 40 R 3.9041 8.8718 118.9955 56.9505 27.6251 175.4117 41 Q 4.7336 7.9880 115.9664 53.6540 32.1611 175.3717 42 G 3.8882 8.3272 108.0704 44.0460 0.0000 171.9361 43 P 4.6013 0.0000 0.0000 63.0255 31.9372 175.4659 44 Q 4.8990 9.3044 122.6581 53.6802 31.8659 174.7303 45 L 3.2667 8.5302 125.3776 55.2947 42.3155 175.4180 46 L 4.5346 8.9837 129.5707 56.0177 42.9342 176.2183 47 L 4.8905 7.5520 116.1773 54.6727 44.4656 173.3762 48 K 5.1027 8.4205 117.0627 55.6174 35.8055 174.8047 49 Y 4.3770 8.5964 122.0031 56.5597 41.1172 174.2863 50 Y 4.3708 7.7224 123.0743 58.3989 39.7030 175.7014 51 S 4.1542 6.5103 109.3537 58.6007 66.2253 175.4922 52 G 3.9926 8.6388 106.0628 43.5889 0.0000 175.1902 53 D 4.4286 8.8170 126.4105 54.0336 41.2077 174.4972 54 P 4.5507 0.0000 0.0000 64.8456 32.6833 175.7359 55 V 4.6547 8.0305 121.3195 61.8038 32.1598 175.4622 56 V 4.6989 8.9201 121.5155 59.7128 35.1526 174.7467 57 Q 5.0241 8.7802 121.4932 54.4614 31.1617 175.3820 58 G 4.4252 9.0328 112.3345 43.5198 0.0000 173.0325 59 V 3.9321 7.8236 118.1171 62.3517 32.1982 175.3848 60 N 3.9078 9.3070 115.4964 54.7999 35.5185 175.0140 61 G 3.8247 8.3487 102.2405 46.4419 0.0000 173.9433 62 F 5.0023 7.6872 117.9069 56.0763 40.8989 174.9126 63 E 5.2761 9.2932 119.4187 54.8447 33.3886 174.0570 64 A 4.8641 8.9049 121.5483 50.2056 23.3264 174.4478 65 E 4.9830 8.4928 120.8977 54.2365 32.1659 174.7964 66 F 5.0367 9.4200 130.8242 58.0146 40.4597 174.5888 67 S 3.9573 8.6664 120.7397 56.1090 64.5481 174.3104 68 K 3.8811 8.1067 129.0430 58.8043 32.3150 179.0529 69 S 4.0738 7.9053 111.9093 60.8470 62.9418 174.4416 70 N 4.5475 7.9206 115.5092 52.1089 39.2122 174.7290 71 S 3.1217 7.5485 115.0224 59.4341 61.1603 171.3442 72 S 5.2878 7.9867 112.6824 56.0994 66.8895 174.4171 73 F 5.7820 8.3840 120.5515 56.6191 38.1553 174.4645 74 H 4.7786 8.1856 118.1838 56.3349 30.4580 176.0010 75 L 4.5398 8.8089 124.3901 53.4364 44.2189 175.1033 76 R 5.5794 8.8580 124.2237 53.5430 34.1599 173.5595 77 K 4.6012 8.2769 125.1880 54.4809 35.0849 176.5910 78 A 3.7406 8.7018 130.5956 54.6936 18.9436 176.4554 79 S 4.6867 7.5235 111.1041 56.6108 65.4393 173.7449 80 V 4.2161 8.8690 122.0157 61.6275 33.0744 175.6829 81 H 4.9507 9.1128 120.8970 53.8365 31.4494 176.0565 82 R 3.8971 8.7359 118.1586 59.5054 29.9168 178.7108 83 S 4.5641 7.9666 109.2876 58.6565 63.3076 174.4296 84 D 4.7987 8.1508 121.4173 56.7079 41.0360 176.4510 85 S 4.7470 7.2582 113.3884 58.5181 62.3796 173.4666 86 A 4.3307 8.0022 126.0668 52.1474 23.2679 173.9136 87 V 4.6641 7.6304 116.4069 61.5840 34.0707 174.8898 88 Y 5.1167 9.1618 125.2208 56.2039 40.9967 174.4657 89 F 5.4533 9.6687 123.1726 55.8324 42.0481 174.0813 90 C 4.1434 9.7935 124.4113 56.0002 46.0571 172.1078 91 A 5.2431 8.9882 125.9981 50.2392 22.8962 175.2491 92 V 4.8308 8.3978 119.1931 59.5144 35.1211 175.0676 93 S 4.4563 8.6828 118.9803 58.2246 63.7446 172.7406 *99 H 4.5351 8.6414 124.7112 57.0297 29.2028 172.2010 100 Q 3.5515 10.0835 125.3857 56.4372 26.9326 175.5146 101 G 3.7860 7.9610 103.5770 45.8334 0.0000 175.2716 102 R 4.2355 7.6189 118.8266 57.1320 31.0927 175.2469 103 Y 4.5569 6.6055 114.1733 56.8207 40.7118 172.1770 104 L 4.7202 8.7096 119.0196 53.4348 43.8554 176.4840 105 T 4.5727 8.6547 119.8486 61.9937 70.5096 173.8373 106 F 4.9092 8.8444 125.3803 56.3115 40.8237 176.1526 107 G 4.1559 9.2507 110.1202 45.5471 0.0000 173.9530 108 S 4.4272 8.7965 113.9031 59.4094 63.4269 175.6557 109 G 3.5235 8.5982 107.0253 45.5673 0.0000 172.3029 110 T 4.7433 8.6774 119.0311 61.3167 71.4307 173.2068 111 K 4.6218 8.9890 128.5942 55.6114 33.9287 175.2586 112 V 4.7007 8.9763 128.2294 61.3997 33.7662 174.1871 113 I 4.5965 8.8119 129.7758 59.7308 39.1410 175.0013 114 V 4.5021 8.2050 128.6832 61.2063 32.2709 175.6360 115 L 4.1872 8.5864 129.9011 53.9281 42.1660 175.5954 116 P 4.6807 0.0000 0.0000 62.0874 32.5126 176.4615 117 Y 4.4622 7.8649 117.5152 58.7227 37.7152 176.5915 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 1 Q 8.34 4.42 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 2 S 8.84 4.37 0.00 3.97 4.04 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 3 V 8.60 5.11 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 0.78 0.00 0.00 1.00 0.00 0.00 4 T 9.75 4.64 4.31 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 1.27 0.00 0.00 5 Q 8.71 5.16 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 6 P 0.00 4.44 0.00 2.21 2.22 0.00 4.02 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 7 D 7.54 4.89 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.34 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 9 R 7.80 5.14 0.00 1.65 1.79 0.00 3.17 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 10 V 8.93 4.58 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 0.74 0.00 0.00 0.94 0.00 0.00 11 T 8.55 5.15 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 1.25 0.00 0.00 12 V 8.53 4.58 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 0.78 0.00 0.00 0.88 0.00 0.00 13 S 8.50 4.78 0.00 3.75 3.73 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 14 E 8.22 3.84 0.00 1.65 1.12 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 1.89 2.02 0.00 15 G 9.03 4.08 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 0.00 0.00 0.00 16 A 7.64 4.37 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 17 S 8.32 5.23 0.00 3.71 3.73 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 18 L 9.18 4.57 0.00 1.59 1.37 0.80 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.61 4.96 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.50 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 20 L 8.39 4.64 0.00 1.00 1.47 0.40 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.62 4.57 0.00 1.72 1.88 0.00 3.10 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 1.23 1.51 0.00 22 C 9.35 5.44 0.00 3.24 3.45 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 0.00 0.00 0.00 0.00 23 K 9.55 5.43 0.00 1.73 1.63 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.47 7.81 24 Y 8.76 5.40 0.00 3.16 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 25 S 9.03 4.76 0.00 3.91 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 26 Y 8.65 4.11 0.00 3.01 3.15 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 27 S 8.36 4.21 0.00 3.94 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 28 A 6.57 4.11 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 29 T 8.41 3.84 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 0.70 0.00 0.00 30 P 0.00 3.98 0.00 1.49 1.58 0.00 3.54 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.03 0.00 31 Y 7.88 4.48 0.00 2.94 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 32 L 7.88 5.03 0.00 0.39 0.57 0.37 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.10 5.54 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 34 W 9.45 5.38 0.00 3.39 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 35 Y 10.04 5.34 0.00 3.18 2.98 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 36 V 8.96 4.28 1.62 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 0.68 0.00 0.00 -0.29 0.00 0.00 37 Q 8.76 4.73 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 38 Y 8.27 4.73 0.00 3.15 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 39 P 0.00 4.34 0.00 2.09 2.08 0.00 4.01 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 40 R 8.87 3.90 0.00 1.97 2.04 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 41 Q 7.99 4.73 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 42 G 8.33 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 0.00 0.00 0.00 43 P 0.00 4.60 0.00 1.98 1.89 0.00 3.59 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 44 Q 9.30 4.90 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 45 L 8.53 3.27 0.00 1.37 1.49 0.62 0.97 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 46 L 8.98 4.53 0.00 1.95 1.59 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.55 4.89 0.00 1.88 1.92 1.14 0.31 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 48 K 8.42 5.10 0.00 1.10 1.75 0.00 1.18 0.00 0.00 1.64 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.11 0.81 7.81 49 Y 8.60 4.38 0.00 3.06 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 0.00 0.00 0.00 50 Y 7.72 4.37 0.00 2.71 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 51 S 6.51 4.15 0.00 3.84 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 52 G 8.64 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 53 D 8.82 4.43 0.00 2.71 2.72 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 54 P 0.00 4.55 0.00 2.33 2.45 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 55 V 8.03 4.65 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 0.80 0.00 0.00 0.96 0.00 0.00 56 V 8.92 4.70 2.20 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 0.99 0.00 0.00 1.30 0.00 0.00 57 Q 8.78 5.02 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 58 G 9.03 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 3.93 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 0.88 0.00 0.00 1.02 0.00 0.00 60 N 9.31 3.91 0.00 3.20 3.18 0.00 0.00 6.94 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 61 G 8.35 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 62 F 7.69 5.00 0.00 3.15 2.84 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 63 E 9.29 5.28 0.00 2.04 2.24 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 2.13 2.19 0.00 64 A 8.90 4.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.98 0.00 2.04 1.78 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 2.18 2.23 0.00 66 F 9.42 5.04 0.00 2.32 2.37 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 67 S 8.67 3.96 0.00 3.70 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 68 K 8.11 3.88 0.00 1.83 1.71 0.00 2.00 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.55 7.81 69 S 7.91 4.07 0.00 3.96 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 70 N 7.92 4.55 0.00 2.64 2.81 0.00 0.00 7.24 7.69 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 71 S 7.55 3.12 0.00 3.60 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 72 S 7.99 5.29 0.00 3.65 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 73 F 8.38 5.78 0.00 3.13 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 74 H 8.19 4.78 0.00 3.14 3.17 0.00 5.67 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 75 L 8.81 4.54 0.00 0.27 0.42 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.86 5.58 0.00 1.72 1.59 0.00 3.07 0.00 0.00 3.13 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 77 K 8.28 4.60 0.00 0.94 1.28 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.08 1.04 7.81 78 A 8.70 3.74 1.24 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 79 S 7.52 4.69 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.87 4.22 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 0.50 0.00 0.00 0.95 0.00 0.00 81 H 9.11 4.95 0.00 3.11 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.74 3.90 0.00 1.87 1.99 0.00 3.10 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 83 S 7.97 4.56 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 84 D 8.15 4.80 0.00 2.99 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 85 S 7.26 4.75 0.00 4.14 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 86 A 8.00 4.33 1.04 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 0.00 0.00 87 V 7.63 4.66 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 0.25 0.00 0.00 0.90 0.00 0.00 88 Y 9.16 5.12 0.00 2.98 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 89 F 9.67 5.45 0.00 3.14 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 90 C 9.79 4.14 0.00 2.14 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 91 A 8.99 5.24 0.72 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 92 V 8.40 4.83 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 0.73 0.00 0.00 0.37 0.00 0.00 93 S 8.68 4.46 0.00 4.09 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 *99 H 8.64 4.54 0.00 2.90 2.00 0.00 6.11 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 10.08 3.55 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.57 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 101 G 7.96 3.79 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 0.00 0.00 0.00 102 R 7.62 4.24 0.00 1.73 2.05 0.00 3.26 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 103 Y 6.61 4.56 0.00 2.88 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 0.00 104 L 8.71 4.72 0.00 1.09 0.83 0.17 0.29 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 0.00 105 T 8.65 4.57 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 1.28 0.00 0.00 106 F 8.84 4.91 0.00 2.83 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 0.00 107 G 9.25 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 0.00 108 S 8.80 4.43 0.00 4.07 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 0.00 109 G 8.60 3.52 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 0.00 0.00 0.00 110 T 8.68 4.74 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 1.29 0.00 0.00 111 K 8.99 4.62 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 112 V 8.98 4.70 2.30 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 0.92 0.00 0.00 0.84 0.00 0.00 113 I 8.81 4.60 1.88 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 1.13 0.66 0.92 0.00 0.00 114 V 8.21 4.50 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 0.70 0.00 0.00 0.96 0.00 0.00 115 L 8.59 4.19 0.00 1.62 1.58 0.91 0.70 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 0.00 116 P 0.00 4.68 0.00 1.93 1.96 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 117 Y 7.86 4.46 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.