NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.2949 8.1233 122.4294 51.8240 20.9923 175.6988 24 F 4.8461 8.7556 117.4067 55.4220 40.4500 173.5143 25 I 4.4872 8.6601 127.4327 60.4234 41.3609 176.6198 26 G 3.8453 8.8441 111.5338 46.1188 0.0000 175.2459 27 V 3.6961 7.6087 122.5360 65.3159 31.8291 178.0054 28 D 4.5263 7.9442 117.1179 54.8212 39.9980 182.0677 29 S 4.5010 7.4358 112.2035 58.0278 65.5402 174.9090 30 A 3.9474 8.3728 122.6180 55.3187 17.9525 179.5477 31 A 3.5611 7.2077 118.7398 54.9474 18.2500 179.7437 32 G 3.8715 7.6083 105.4531 47.4904 0.0000 175.4485 33 N 4.3185 8.2835 119.3453 56.0430 38.5750 177.7105 34 V 3.6346 7.6764 119.0262 65.9277 31.6876 178.2066 35 V 3.6745 8.0325 118.2622 66.0350 31.3802 178.1011 36 K 4.0273 8.3711 118.6975 59.5634 31.8348 179.3862 37 Q 4.0947 8.2965 117.9421 58.9894 28.4106 178.3485 38 F 4.3500 8.4348 122.6245 61.6113 39.5602 176.3752 39 H 3.9155 8.3016 115.5179 59.1078 28.3534 177.3609 40 A 3.9727 7.8586 120.6382 55.2719 18.4874 179.2241 41 A 4.0903 8.2688 119.4455 55.2646 18.2498 179.6768 42 L 3.9490 7.8315 118.0908 58.0877 42.1366 179.4057 43 Q 4.2426 7.7577 115.0327 56.1741 28.5197 176.8490 *45 G 3.7198 7.8679 106.8807 45.2826 0.0000 174.2374 46 N 4.6282 8.2338 120.4996 51.9804 38.4715 174.4094 47 E 4.0337 8.5939 128.8205 58.8431 29.8209 177.9315 48 A 4.0120 8.1716 120.6008 55.2081 18.4206 179.3378 49 I 3.9236 7.9212 117.6735 63.9341 37.2815 178.6131 50 V 3.8802 7.9351 119.3387 65.9879 31.1373 177.9492 51 R 3.9673 8.1135 117.5983 59.7257 30.0488 178.0567 52 Q 4.1131 7.7673 117.5320 59.1183 29.2050 177.8634 53 S 4.3503 8.1339 115.6507 59.0744 63.2148 173.9097 54 L 4.7606 6.9993 120.8862 52.4930 43.2602 176.4012 55 A 4.1083 8.5669 126.0245 51.6662 19.2095 178.2953 56 A 4.0201 8.7323 123.7387 55.2052 18.4502 178.8251 57 N 5.3401 7.7433 111.5563 52.5105 39.2165 176.1176 58 V 3.7644 7.6366 118.4678 62.5408 32.1187 174.9780 59 Q 4.8223 8.7526 124.7438 54.4892 31.4561 174.0666 60 I 4.6208 8.6813 126.4677 59.6444 40.8199 173.7709 61 Y 5.2921 8.7330 125.2801 56.3155 40.5418 174.7475 62 E 4.8963 9.5708 123.8392 55.7354 33.9401 175.4609 63 G 4.0631 9.9331 116.8223 46.7902 0.0000 174.3212 64 G 3.8974 8.5337 106.2163 44.8330 0.0000 174.0127 65 K 4.6735 7.8396 119.3780 54.2151 34.7425 175.4821 66 V 5.0956 8.1571 120.5319 59.9309 34.0975 174.6747 67 E 4.7481 9.0103 123.0656 54.9548 31.2374 176.7200 68 R 4.6208 8.5153 120.0017 56.2001 31.5323 176.1503 69 S 4.7096 7.4998 112.4007 55.6466 67.0977 174.5586 70 L 4.0187 8.7037 124.5987 58.6957 41.7203 179.2804 71 T 3.8950 7.9217 109.1235 64.7908 68.6658 175.9845 72 E 3.7905 8.1784 121.3833 59.2363 29.5465 178.5943 73 Y 4.1618 8.2390 119.2133 60.7520 38.6712 177.9219 74 A 3.8667 8.1616 120.4940 55.4910 18.5922 179.1858 75 N 4.4059 8.3287 113.7911 55.6862 38.6062 176.4029 76 H 4.8522 7.8976 115.9360 56.4664 31.4917 174.9393 77 H 4.9524 8.2432 116.4106 54.8888 29.2793 174.7144 *79 L 4.1803 7.8533 119.7970 54.8378 44.1280 179.0549 80 A 4.1641 7.9226 120.7764 55.4715 18.6485 180.2026 81 D 4.4406 8.3481 114.0507 54.7755 40.3808 178.4970 *83 A 4.2578 8.1850 123.7414 52.4801 20.4155 179.2289 84 Y 3.0124 7.9625 115.7064 60.4054 39.0618 177.6137 85 L 3.9408 7.8730 119.0884 56.6641 42.0756 179.0376 86 K 3.8545 7.7556 119.4981 58.8884 32.0106 177.3290 87 G 4.1015 7.9538 103.9191 45.7371 0.0000 172.9102 88 L 5.1429 7.6751 119.6261 52.6921 44.7607 175.9147 89 T 4.4651 8.8809 112.9802 60.1954 70.9657 173.2958 90 I 4.7593 8.3158 126.9952 59.9720 39.0172 175.0448 91 T 4.5579 8.8141 125.2613 60.9157 70.5091 172.4556 92 P 4.6949 0.0000 0.0000 62.4555 31.4652 176.3392 93 K 4.6994 9.0510 123.7996 57.7989 34.1495 176.3744 94 E 3.6401 7.6993 114.9869 55.5356 33.0250 174.2260 95 H 5.1397 8.1968 120.0822 55.6847 33.9028 172.1954 96 Q 5.0932 9.3520 125.2906 54.1094 32.0170 174.4965 97 I 5.0161 8.8557 124.8313 59.7336 40.1503 175.1353 98 T 4.5933 8.8262 123.1002 61.7353 71.7109 172.8295 99 I 4.7955 8.3936 126.7813 60.0112 39.3593 176.0906 100 T 4.4963 8.9457 124.0016 62.0259 70.3805 176.2113 101 G 3.9739 8.2465 119.5061 47.0705 0.0000 172.0657 102 D 4.5258 8.9420 125.6761 53.9463 41.0821 174.6962 103 I 5.3536 7.9047 120.3816 59.1739 41.3262 173.9957 104 A 5.2138 9.5203 129.9827 50.1578 22.6702 174.6622 105 I 4.8493 8.4975 121.4407 59.4560 40.4719 174.5125 106 S 5.2457 9.0701 122.2747 56.5787 64.9601 172.6099 107 T 5.2731 9.1743 117.8501 59.9830 71.0297 173.1259 108 S 5.1449 9.1890 120.4569 56.4922 66.7527 173.3435 109 I 4.8941 8.5580 121.0414 59.8241 40.2446 174.8745 110 S 5.1095 9.1137 121.5597 57.0465 67.7644 172.4483 111 H 5.1682 9.3263 123.3449 55.0310 31.2356 173.4785 112 A 5.0369 8.9500 128.9337 50.5632 20.9637 175.5135 113 Q 4.7799 9.8107 121.5714 52.1990 32.5917 175.4131 114 G 4.2492 8.1442 111.3206 45.4548 0.0000 171.9010 115 E 5.0508 8.0107 121.9148 55.0836 32.5664 174.1473 116 Y 4.6462 8.8155 121.1983 57.1128 41.7217 175.4317 117 K 3.2593 9.2087 127.1952 57.4618 29.6462 176.1934 118 G 3.8731 8.2265 104.6034 45.2181 0.0000 173.2993 119 K 4.5829 7.6419 121.9027 54.5842 34.1728 175.8273 120 S 4.8472 8.6810 123.1207 58.6168 64.0430 173.5202 121 I 4.5136 8.7583 123.6796 59.7882 40.4057 174.6900 122 D 5.0873 8.7248 126.5892 52.1815 42.4091 174.4641 123 S 4.4877 9.2939 128.5707 57.9539 70.0800 177.4510 *125 T 4.4911 8.4975 112.3842 61.3274 70.4073 170.1417 *127 E 4.7205 8.3800 120.4314 56.8271 31.1945 174.7032 128 T 5.0294 8.7468 123.4972 61.7923 71.2326 173.1997 129 L 5.0668 9.1398 126.5054 52.8163 45.3518 175.4689 130 V 4.7204 8.4801 122.8283 61.1939 33.8331 174.3980 131 L 5.3693 9.1212 127.2857 53.0347 45.6093 175.4279 132 I 5.1035 8.6462 122.6976 59.1437 40.8268 174.7873 133 K 3.5952 8.1222 128.4431 55.8735 32.2310 176.9697 134 Q 4.1283 8.8252 127.3993 54.9068 29.5711 176.9742 135 A 3.8602 8.5152 122.2038 55.3591 18.1574 178.2684 136 D 4.5675 7.9719 112.0468 53.2025 39.8241 177.1953 137 G 3.7912 8.1152 109.9866 45.1789 0.0000 174.2354 138 R 4.0641 7.8384 121.3053 56.0805 31.1376 175.6185 139 W 4.8049 8.8129 126.3657 56.4154 30.1789 175.8442 140 K 4.8714 9.0363 122.9006 54.4657 36.2922 175.6421 141 I 4.3563 8.7031 125.6994 61.6626 37.6800 176.5567 142 T 4.3823 9.2993 116.6331 61.8877 71.4113 173.4422 143 H 5.2190 7.7720 121.4707 54.5099 33.8887 171.9539 144 V 4.3507 8.1240 124.1796 61.1241 34.9806 173.5806 145 H 5.2146 8.9174 126.8541 54.4197 32.5808 171.7293 146 W 5.5481 9.1167 126.4587 55.1319 31.3389 176.5379 147 S 4.2470 8.5678 116.7509 58.9592 62.1615 174.0494 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 23 A 8.12 4.29 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 24 F 8.76 4.85 0.00 3.10 2.99 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 25 I 8.66 4.49 1.85 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 1.23 0.65 0.90 0.00 0.00 26 G 8.84 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.61 3.70 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 0.93 0.00 0.00 0.94 0.00 0.00 28 D 7.94 4.53 0.00 2.74 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 29 S 7.44 4.50 0.00 3.93 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 30 A 8.37 3.95 1.48 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 0.00 0.00 0.00 31 A 7.21 3.56 0.39 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 32 G 7.61 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 0.00 0.00 0.00 0.00 33 N 8.28 4.32 0.00 2.91 2.91 0.00 0.00 6.70 8.02 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 34 V 7.68 3.63 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 1.09 0.00 0.00 1.04 0.00 0.00 35 V 8.03 3.67 2.23 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 0.99 0.00 0.00 1.00 0.00 0.00 36 K 8.37 4.03 0.00 2.00 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.59 7.81 37 Q 8.30 4.09 0.00 2.36 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 38 F 8.43 4.35 0.00 3.21 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 39 H 8.30 3.92 0.00 3.42 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.86 3.97 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 41 A 8.27 4.09 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 42 L 7.83 3.95 0.00 1.46 1.45 1.13 1.05 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 43 Q 7.76 4.24 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 *45 G 7.87 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 46 N 8.23 4.63 0.00 2.78 2.77 0.00 0.00 6.88 8.21 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 47 E 8.59 4.03 0.00 2.11 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 2.42 2.43 0.00 48 A 8.17 4.01 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 49 I 7.92 3.92 1.94 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 1.37 1.00 0.00 0.00 50 V 7.94 3.88 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 1.33 0.00 0.00 1.14 0.00 0.00 51 R 8.11 3.97 0.00 2.03 2.26 0.00 3.35 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 1.68 1.69 0.00 52 Q 7.77 4.11 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 53 S 8.13 4.35 0.00 4.16 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 0.00 54 L 7.00 4.76 0.00 1.56 1.48 0.95 0.12 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 55 A 8.57 4.11 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 A 8.73 4.02 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 57 N 7.74 5.34 0.00 2.57 2.80 0.00 0.00 6.89 7.68 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 58 V 7.64 3.76 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 0.60 0.00 0.00 0.66 0.00 0.00 59 Q 8.75 4.82 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 60 I 8.68 4.62 1.82 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.40 0.59 0.00 0.00 61 Y 8.73 5.29 0.00 2.76 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 62 E 9.57 4.90 0.00 2.40 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 2.30 2.61 0.00 63 G 9.93 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 64 G 8.53 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 0.00 0.00 0.00 65 K 7.84 4.67 0.00 2.08 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.20 7.81 66 V 8.16 5.10 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 0.76 0.00 0.00 1.18 0.00 0.00 67 E 9.01 4.75 0.00 2.15 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 2.39 2.64 0.00 68 R 8.52 4.62 0.00 1.80 1.96 0.00 3.24 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 69 S 7.50 4.71 0.00 4.15 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 L 8.70 4.02 0.00 1.97 1.74 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.92 3.89 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 1.22 0.00 0.00 72 E 8.18 3.79 0.00 2.25 2.33 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 2.35 2.50 0.00 73 Y 8.24 4.16 0.00 3.08 3.22 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 0.00 74 A 8.16 3.87 1.39 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 75 N 8.33 4.41 0.00 2.50 2.78 0.00 0.00 6.97 7.77 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 76 H 7.90 4.85 0.00 3.12 3.19 0.00 5.61 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 77 H 8.24 4.95 0.00 3.07 3.23 0.00 5.66 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 *79 L 7.85 4.18 0.00 1.64 1.77 0.92 0.87 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 80 A 7.92 4.16 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 81 D 8.35 4.44 0.00 2.75 2.66 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 0.00 0.00 0.00 *83 A 8.19 4.26 1.49 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 0.00 0.00 84 Y 7.96 3.01 0.00 2.14 2.87 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 0.00 85 L 7.87 3.94 0.00 1.69 1.59 0.77 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.76 3.85 0.00 1.66 1.94 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.42 7.81 87 G 7.95 4.10 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 0.00 0.00 0.00 88 L 7.68 5.14 0.00 1.36 1.39 0.30 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.88 4.47 4.20 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 1.17 0.00 0.00 90 I 8.32 4.76 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.85 0.00 0.00 91 T 8.81 4.56 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 1.25 0.00 0.00 92 P 0.00 4.69 0.00 2.18 2.21 0.00 3.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 93 K 9.05 4.70 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.51 7.81 94 E 7.70 3.64 0.00 1.79 1.70 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 2.16 2.17 0.00 95 H 8.20 5.14 0.00 3.30 3.33 0.00 5.54 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 96 Q 9.35 5.09 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 97 I 8.86 5.02 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.77 0.00 0.00 98 T 8.83 4.59 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 1.19 0.00 0.00 99 I 8.39 4.80 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.18 1.08 0.00 0.00 100 T 8.95 4.50 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 1.23 0.00 0.00 101 G 8.25 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 0.00 0.00 0.00 102 D 8.94 4.53 0.00 2.67 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 0.00 103 I 7.90 5.35 1.93 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 1.22 1.90 1.00 0.00 0.00 104 A 9.52 5.21 0.75 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 0.00 0.00 105 I 8.50 4.85 1.85 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 1.11 0.96 0.90 0.00 0.00 106 S 9.07 5.25 0.00 3.86 3.70 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 T 9.17 5.27 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 1.21 0.00 0.00 108 S 9.19 5.14 0.00 3.86 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.56 4.89 1.84 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 1.23 0.82 0.96 0.00 0.00 110 S 9.11 5.11 0.00 3.69 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 0.00 111 H 9.33 5.17 0.00 3.16 3.18 0.00 5.58 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 0.00 112 A 8.95 5.04 1.18 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 0.00 0.00 113 Q 9.81 4.78 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 114 G 8.14 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 0.00 0.00 0.00 115 E 8.01 5.05 0.00 2.35 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 2.17 1.86 0.00 116 Y 8.82 4.65 0.00 2.70 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 0.00 117 K 9.21 3.26 0.00 1.41 1.57 0.00 1.57 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.82 0.21 7.81 118 G 8.23 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 0.00 0.00 0.00 0.00 119 K 7.64 4.58 0.00 1.97 1.85 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.26 7.81 120 S 8.68 4.85 0.00 3.80 3.77 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 0.00 121 I 8.76 4.51 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.94 0.00 0.00 122 D 8.72 5.09 0.00 2.64 2.54 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 0.00 123 S 9.29 4.49 0.00 3.92 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 *125 T 8.50 4.49 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 1.21 0.00 0.00 *127 E 8.38 4.72 0.00 2.45 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 2.40 2.56 0.00 128 T 8.75 5.03 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 1.21 0.00 0.00 129 L 9.14 5.07 0.00 1.47 1.42 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.48 4.72 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 0.81 0.00 0.00 0.90 0.00 0.00 131 L 9.12 5.37 0.00 1.74 1.79 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.65 5.10 1.84 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 1.15 0.79 0.84 0.00 0.00 133 K 8.12 3.60 0.00 0.79 1.08 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.59 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.93 0.57 7.81 134 Q 8.83 4.13 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 135 A 8.52 3.86 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 0.00 136 D 7.97 4.57 0.00 2.74 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 0.00 137 G 8.12 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 0.00 138 R 7.84 4.06 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 139 W 8.81 4.80 0.00 3.26 3.18 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 0.00 140 K 9.04 4.87 0.00 1.63 1.68 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 141 I 8.70 4.36 1.50 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.56 0.00 0.00 142 T 9.30 4.38 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 1.23 0.00 0.00 143 H 7.77 5.22 0.00 3.05 2.98 0.00 5.80 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 0.00 144 V 8.12 4.35 1.43 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 -0.93 0.00 0.00 0.40 0.00 0.00 145 H 8.92 5.21 0.00 3.08 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 9.12 5.55 0.00 3.42 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 0.00 147 S 8.57 4.25 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.