NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5994 8.2233 120.5331 54.1085 42.3963 176.7423 6 P 4.0132 0.0000 0.0000 63.8747 32.5290 176.9735 7 Q 4.1541 10.7000 120.2718 58.1213 29.2883 177.5529 8 L 3.9067 7.7969 121.5572 58.0890 42.2971 178.2631 9 K 3.3700 7.9334 117.5240 59.4994 31.9733 178.4268 10 F 3.9447 8.5541 119.9875 61.6727 39.3832 177.4931 11 A 3.9287 8.3856 120.4663 55.2945 18.1387 179.2738 12 M 4.0343 8.9301 117.7757 58.5608 32.0071 177.9672 13 Q 4.2343 7.5817 118.6197 58.2348 29.3227 177.4321 14 R 3.8099 7.4323 119.3604 58.5500 30.1105 176.6702 15 D 4.7134 8.4952 115.3811 54.1097 43.5313 176.4475 16 L 4.1856 7.9696 117.0115 54.1855 42.6657 176.2518 17 G 3.7496 8.7423 106.5115 45.6916 0.0000 172.3311 18 I 4.4327 7.1854 116.2408 59.9599 41.4940 172.3227 19 F 4.5537 8.4274 124.4474 55.6937 41.0618 174.8378 20 P 4.1714 0.0000 0.0000 65.8974 31.6187 177.6652 21 T 4.2151 8.3677 107.9621 64.6758 69.2883 178.3098 22 Q 4.4653 8.0987 121.8257 55.3706 28.0069 176.8815 23 L 4.5638 7.9768 119.0106 57.9798 43.7618 174.3262 24 P 4.1628 0.0000 0.0000 66.1412 31.2459 177.7117 25 Q 3.9569 8.2865 117.1581 59.7577 28.9242 178.4742 26 Y 3.9110 8.2112 119.5693 60.8414 38.7780 178.0004 27 L 4.0151 8.2075 119.7118 57.9805 41.8560 179.3904 28 Q 3.7626 8.7390 118.3406 59.5285 28.5403 179.3733 29 T 3.9287 7.9591 116.6243 65.9860 68.3662 176.3685 30 E 3.6357 8.1857 121.7551 59.4126 29.2818 178.9016 31 K 3.8510 8.8499 120.3151 59.4478 32.2651 178.4811 32 L 3.9918 7.7713 120.0351 57.7954 41.7636 178.6760 33 A 3.9209 8.0664 120.0979 55.3299 18.4587 179.2739 34 R 4.0202 7.3263 115.1942 60.7741 30.4918 178.5580 35 T 3.9039 7.7292 114.1720 66.6053 68.2882 175.7478 36 Q 4.1239 8.3257 115.2482 57.0657 28.7133 178.4594 37 A 3.9452 8.3460 124.3161 55.3462 18.4976 180.2166 38 A 3.8902 7.9219 118.2648 55.8426 18.4807 178.5895 39 A 3.8942 8.2213 118.7999 54.2306 18.1257 179.3621 40 I 3.6859 8.1573 115.8623 64.2403 37.6853 178.2180 41 E 2.8323 7.7481 118.6207 59.1823 29.0694 179.5730 42 R 3.7746 7.5015 116.2912 59.4471 30.3083 178.3071 43 E 3.7785 8.2968 117.9980 59.0243 29.5500 178.1310 44 F 4.6518 8.0755 116.4069 55.1684 39.9903 177.7417 45 G 4.0082 8.7640 106.6889 46.5371 0.0000 174.0645 46 A 4.8162 9.0340 124.6743 51.7474 19.3740 177.7179 47 Q 4.2196 8.0783 117.8759 57.6335 29.4359 174.7553 48 F 4.3704 8.5691 119.1518 58.3781 38.8562 174.3447 49 A 3.9603 9.1439 134.0036 52.1287 18.8936 178.9442 50 G 3.4536 6.3621 98.4184 46.2254 0.0000 170.4903 51 S 4.5227 8.5667 112.9693 56.8597 65.6041 173.6470 52 W 5.2907 7.8814 121.4670 55.6313 31.8662 172.6671 53 I 5.0290 8.7611 119.8633 60.2460 38.8543 175.3361 54 E 4.9001 9.5362 127.0718 54.8625 32.5388 175.0357 55 R 4.3515 8.5057 120.9789 55.3652 31.8797 174.9838 56 N 4.9586 10.9700 121.8233 51.4698 40.3571 175.8536 57 E 3.8154 9.1181 121.3261 59.7561 29.3702 178.4904 58 D 4.2695 8.0815 113.8348 53.7309 38.9503 176.7115 59 G 3.7616 8.7741 108.0603 46.1214 0.0000 173.7193 60 S 4.7278 7.0902 111.3951 56.5058 65.7012 173.6195 61 F 5.1420 8.6544 119.9176 56.9213 40.9132 175.7303 62 K 4.5505 9.9699 119.8766 55.6466 36.1917 174.8844 63 L 4.5003 8.7554 127.7918 54.9870 43.1786 175.3647 64 V 4.7676 8.6333 126.6312 60.8781 34.6001 174.0379 65 A 4.5219 8.4676 127.5789 49.8111 22.0005 174.7322 66 A 5.1079 8.7453 123.6789 49.2113 22.8453 174.9417 67 T 4.9298 7.9749 114.4692 60.0539 70.1378 174.0520 68 S 4.6057 10.7700 122.2749 57.8123 62.6870 174.2439 69 G 4.3297 8.6764 111.9154 45.1994 0.0000 176.5314 70 A 4.5128 8.4928 124.6108 52.1882 23.2991 176.5591 71 R 4.0072 8.0592 115.3233 56.2322 28.9238 177.0158 72 K 4.4687 8.8226 121.3749 56.5759 32.1861 176.1166 73 S 4.5453 7.6408 110.6663 59.7733 65.9443 173.5632 74 S 4.4482 8.3222 113.9244 58.6612 64.5777 173.9379 75 T 4.3601 8.1282 109.7520 61.6431 69.5719 174.7201 76 L 4.1710 7.8749 122.5722 54.7149 41.9608 176.2789 77 G 3.9304 8.4800 108.6369 45.4490 0.0000 174.2370 78 G 3.9210 8.6799 109.1328 45.8541 0.0000 173.0997 79 V 4.1738 7.1813 118.3124 60.7327 32.5662 174.9645 80 E 4.1930 8.7993 130.9174 55.9552 30.5590 175.5722 81 V 4.5247 8.3726 127.0945 62.0132 33.4145 175.4593 82 R 4.4537 8.4871 127.3228 54.5144 32.9093 173.6869 83 N 5.0619 8.7095 125.0766 52.9165 37.5050 175.3621 84 V 4.3280 7.9783 119.8052 60.9735 33.8357 175.1006 85 R 4.2014 8.4856 118.4410 58.9258 30.8662 176.9603 86 Y 4.4363 8.1926 114.8678 57.3858 39.1002 175.5851 87 S 4.8471 8.9478 116.6263 56.3583 66.4418 175.0692 88 L 3.9351 7.8363 124.7898 58.7474 42.1189 178.7457 89 K 3.9159 8.7095 118.7796 57.7192 31.8472 178.6499 90 Q 3.9196 7.4493 117.2578 59.0087 29.4017 179.4216 91 L 3.8725 8.4450 120.3444 58.1579 41.7529 179.4507 92 Q 4.1029 8.2876 117.8724 59.3369 28.5933 178.8581 93 S 4.0117 7.9213 112.9202 61.7079 62.0076 175.8842 94 A 3.9504 7.6148 121.4522 55.8023 18.2999 179.3753 95 M 3.8305 7.9615 115.8940 58.4103 31.9886 177.9447 96 E 4.0378 8.9234 120.7388 59.2771 29.9205 178.2828 97 Q 4.2911 8.1246 117.4461 59.3190 28.7206 179.2746 98 L 3.7916 8.7684 118.3178 56.8679 41.8850 178.1731 99 D 5.2467 7.7594 117.1829 55.5406 42.1884 177.8201 100 A 4.0066 8.8694 122.7885 55.6279 18.3507 178.6861 101 G 3.8349 8.2026 100.8946 46.0138 0.0000 173.5146 102 A 4.5120 7.9195 123.1167 50.9863 20.0910 177.6130 *115 G 3.9870 8.3444 105.8469 44.9560 0.0000 172.0652 116 V 4.4002 7.4717 121.8585 62.1863 29.8749 177.2476 117 Q 4.4164 8.2618 126.1918 55.3252 29.5260 176.1681 118 S 4.4103 10.7700 113.6869 58.2367 64.1576 168.2390 119 W 5.7106 9.5283 120.7183 53.3182 30.7460 174.0729 120 Y 5.0618 7.7871 120.7120 56.1603 38.0118 171.9921 121 V 3.7750 7.9394 121.6456 63.5816 32.4430 175.6161 122 D 4.3675 8.2512 121.9122 53.1565 42.8491 174.4881 123 P 4.4106 0.0000 0.0000 64.7490 31.9144 178.0107 124 R 2.0000 7.5628 118.0770 57.6635 29.9812 177.1850 125 S 4.3924 7.4179 111.8905 60.9962 63.5350 174.4969 126 N 3.8125 7.5598 115.7899 54.2786 37.1048 171.7669 127 A 4.2099 7.2920 122.3230 51.3200 24.2358 176.3902 128 V 3.9906 8.0174 119.3977 62.5875 32.5922 175.3208 129 V 4.0591 8.1321 129.4003 61.9388 32.6918 174.7460 130 V 4.3168 7.8969 127.5597 61.7279 33.3100 174.3253 131 K 4.9987 8.9452 128.5220 54.8166 34.7495 175.1545 132 V 5.3233 8.7798 119.6018 58.0755 36.3395 174.4549 133 D 4.8982 8.6854 122.4988 52.6809 40.8979 175.1857 134 D 4.2250 8.7220 120.9595 55.6393 39.2117 176.9119 135 G 3.9525 9.3347 111.7239 45.2351 0.0000 173.6315 136 A 4.6162 8.2211 121.7797 52.3298 20.5779 179.1525 137 T 3.8357 8.0281 114.0918 67.0858 68.5445 175.6677 138 D 4.3156 8.1315 120.2406 56.8631 40.5065 178.1411 139 A 4.0826 10.6000 121.4328 55.2286 18.3556 179.7514 140 G 3.6047 8.2518 103.4794 48.1887 0.0000 176.0558 141 V 3.4478 8.0358 121.6287 65.7065 31.6789 177.6268 142 D 4.4153 8.2868 118.5404 57.0162 40.7487 178.1544 143 F 4.1265 9.5138 120.9256 62.0391 39.2884 177.7477 144 V 2.9433 7.6725 117.6063 65.9670 31.4174 177.9291 145 A 4.0522 7.3338 119.0295 54.6393 18.2820 179.1012 146 L 4.1650 8.0552 118.9132 58.5425 40.7867 179.1869 147 S 4.1229 8.1503 114.4440 59.1788 62.6476 175.5360 148 G 3.7113 7.5272 109.4887 45.5917 0.0000 173.2716 149 A 3.9380 7.6069 123.3672 50.8964 18.3961 177.0263 150 D 4.2395 8.7241 123.0980 54.9349 41.3805 176.7430 151 S 3.8904 8.9185 122.1939 61.4375 62.3443 176.1231 152 A 3.9517 8.4344 122.3132 54.7141 18.3080 177.7975 153 Q 4.1311 8.1942 113.9630 55.5008 29.9505 175.7217 154 V 4.5338 7.9053 112.8702 60.2119 34.6547 176.6692 155 R 4.5481 8.1068 121.3349 55.1295 32.1579 172.4061 156 I 3.8322 8.0513 122.7753 61.6054 38.0157 174.7533 157 E 4.8091 9.1052 125.7279 54.9043 33.7201 176.6923 158 S 5.1129 8.2067 114.9133 60.4307 63.9006 175.6271 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 5 D 8.22 4.60 0.00 2.73 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 6 P 0.00 4.01 0.00 2.29 2.17 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 7 Q 10.70 4.15 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 8 L 7.80 3.91 0.00 1.73 1.58 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.93 3.37 0.00 1.73 0.93 0.00 1.95 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.46 1.55 7.81 10 F 8.55 3.94 0.00 3.21 3.13 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 11 A 8.39 3.93 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 12 M 8.93 4.03 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 13 Q 7.58 4.23 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 14 R 7.43 3.81 0.00 1.65 1.86 0.00 3.39 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.00 15 D 8.50 4.71 0.00 2.52 2.59 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 0.00 16 L 7.97 4.19 0.00 1.60 1.61 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.74 3.75 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 0.00 18 I 7.19 4.43 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 0.86 0.00 0.00 19 F 8.43 4.55 0.00 3.21 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 20 P 0.00 4.17 0.00 2.12 2.06 0.00 2.28 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 21 T 8.37 4.22 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 1.30 0.00 0.00 22 Q 8.10 4.47 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 23 L 7.98 4.56 0.00 1.80 1.71 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.16 0.00 2.25 2.13 0.00 4.04 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 2.18 2.23 0.00 25 Q 8.29 3.96 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 26 Y 8.21 3.91 0.00 2.94 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 27 L 8.21 4.02 0.00 2.00 1.74 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.74 3.76 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 29 T 7.96 3.93 4.05 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 1.13 0.00 0.00 30 E 8.19 3.64 0.00 1.96 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 2.33 2.35 0.00 31 K 8.85 3.85 0.00 1.77 1.96 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 32 L 7.77 3.99 0.00 1.92 1.71 0.91 1.09 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 33 A 8.07 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 34 R 7.33 4.02 0.00 1.92 2.04 0.00 3.17 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 35 T 7.73 3.90 4.38 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 1.20 0.00 0.00 36 Q 8.33 4.12 0.00 2.10 2.13 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 2.37 2.52 0.00 37 A 8.35 3.95 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 38 A 7.92 3.89 1.29 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 0.00 0.00 0.00 39 A 8.22 3.89 1.29 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 0.00 0.00 0.00 40 I 8.16 3.69 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.49 1.21 0.00 0.00 41 E 7.75 2.83 0.00 1.90 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 2.02 2.51 0.00 42 R 7.50 3.77 0.00 1.83 1.92 0.00 3.14 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 43 E 8.30 3.78 0.00 1.62 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 1.47 1.90 0.00 44 F 8.08 4.65 0.00 3.17 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 45 G 8.76 4.01 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 0.00 0.00 0.00 46 A 9.03 4.82 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 47 Q 8.08 4.22 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 48 F 8.57 4.37 0.00 2.95 3.25 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 49 A 9.14 3.96 1.15 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 0.00 0.00 50 G 6.36 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 0.00 0.00 0.00 51 S 8.57 4.52 0.00 3.68 3.75 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 W 7.88 5.29 0.00 3.46 3.36 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 53 I 8.76 5.03 1.98 0.00 0.00 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 1.32 0.70 1.01 0.00 0.00 54 E 9.54 4.90 0.00 2.03 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 2.71 2.53 0.00 55 R 8.51 4.35 0.00 1.77 1.74 0.00 2.77 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.18 0.00 56 N 10.97 4.96 0.00 2.87 2.75 0.00 0.00 6.82 7.54 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 57 E 9.12 3.82 0.00 2.03 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 0.00 2.28 2.38 0.00 58 D 8.08 4.27 0.00 2.76 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 59 G 8.77 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.09 4.73 0.00 3.90 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 0.00 61 F 8.65 5.14 0.00 3.03 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 62 K 9.97 4.55 0.00 1.82 2.07 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.55 1.43 7.81 63 L 8.76 4.50 0.00 1.76 1.56 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.63 4.77 1.26 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 0.58 0.00 0.00 0.97 0.00 0.00 65 A 8.47 4.52 1.05 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 0.00 0.00 66 A 8.75 5.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 4.93 4.39 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 1.27 0.00 0.00 68 S 10.77 4.61 0.00 4.12 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 69 G 8.68 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 0.00 0.00 0.00 0.00 70 A 8.49 4.51 1.26 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 0.00 0.00 0.00 71 R 8.06 4.01 0.00 2.08 1.96 0.00 3.31 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 72 K 8.82 4.47 0.00 1.73 1.84 0.00 1.65 0.00 0.00 1.47 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.41 7.81 73 S 7.64 4.55 0.00 4.00 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 74 S 8.32 4.45 0.00 3.86 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 75 T 8.13 4.36 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 76 L 7.87 4.17 0.00 1.64 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.48 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 0.00 0.00 0.00 78 G 8.68 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 79 V 7.18 4.17 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 0.83 0.00 0.00 0.99 0.00 0.00 80 E 8.80 4.19 0.00 2.11 1.89 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 2.26 2.25 0.00 81 V 8.37 4.52 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 1.02 0.00 0.00 1.07 0.00 0.00 82 R 8.49 4.45 0.00 1.95 1.64 0.00 3.35 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 83 N 8.71 5.06 0.00 2.86 3.02 0.00 0.00 6.75 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 84 V 7.98 4.33 2.27 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 0.85 0.00 0.00 1.04 0.00 0.00 85 R 8.49 4.20 0.00 1.68 1.91 0.00 3.03 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.10 0.00 86 Y 8.19 4.44 0.00 3.19 2.88 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 87 S 8.95 4.85 0.00 4.03 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 88 L 7.84 3.94 0.00 1.95 1.82 0.92 0.60 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 89 K 8.71 3.92 0.00 1.93 1.65 0.00 1.86 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.59 7.81 90 Q 7.45 3.92 0.00 2.39 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 91 L 8.44 3.87 0.00 1.79 1.69 0.91 0.80 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 92 Q 8.29 4.10 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 93 S 7.92 4.01 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.61 3.95 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 M 7.96 3.83 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 96 E 8.92 4.04 0.00 2.11 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 2.34 2.39 0.00 97 Q 8.12 4.29 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 98 L 8.77 3.79 0.00 1.59 2.05 0.53 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.76 5.25 0.00 3.25 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 0.00 100 A 8.87 4.01 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 0.00 101 G 8.20 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 0.00 0.00 0.00 102 A 7.92 4.51 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 0.00 0.00 0.00 0.00 0.00 *115 G 8.34 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 0.00 116 V 7.47 4.40 1.89 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 0.95 0.00 0.00 0.42 0.00 0.00 117 Q 8.26 4.42 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.14 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 118 S 10.77 4.41 0.00 4.16 4.38 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 0.00 119 W 9.53 5.71 0.00 3.39 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.79 5.06 0.00 3.38 3.21 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 0.00 0.00 0.00 0.00 121 V 7.94 3.78 2.16 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 0.79 0.00 0.00 1.02 0.00 0.00 122 D 8.25 4.37 0.00 2.86 2.40 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 0.00 123 P 0.00 4.41 0.00 2.65 2.24 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 124 R 7.56 2.00 0.00 1.52 1.53 0.00 2.93 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 125 S 7.42 4.39 0.00 3.86 3.78 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 0.00 0.00 0.00 126 N 7.56 3.81 0.00 2.81 3.25 0.00 0.00 7.01 7.96 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 0.00 127 A 7.29 4.21 1.13 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 0.00 0.00 128 V 8.02 3.99 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 0.87 0.00 0.00 0.84 0.00 0.00 129 V 8.13 4.06 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 0.69 0.00 0.00 0.86 0.00 0.00 130 V 7.90 4.32 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 0.86 0.00 0.00 0.71 0.00 0.00 131 K 8.95 5.00 0.00 2.18 2.05 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.50 7.81 132 V 8.78 5.32 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 0.94 0.00 0.00 1.06 0.00 0.00 133 D 8.69 4.90 0.00 2.81 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 0.00 134 D 8.72 4.22 0.00 2.81 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 0.00 135 G 9.33 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 0.00 136 A 8.22 4.62 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 0.00 137 T 8.03 3.84 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 0.00 138 D 8.13 4.32 0.00 2.68 2.71 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 0.00 139 A 10.60 4.08 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 0.00 140 G 8.25 3.60 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 0.00 141 V 8.04 3.45 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 0.93 0.00 0.00 142 D 8.29 4.42 0.00 3.04 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 0.00 143 F 9.51 4.13 0.00 2.78 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 0.00 144 V 7.67 2.94 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 0.67 0.00 0.00 0.49 0.00 0.00 145 A 7.33 4.05 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 0.00 146 L 8.06 4.16 0.00 1.89 1.94 1.01 1.23 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 0.00 147 S 8.15 4.12 0.00 3.68 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 0.00 148 G 7.53 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 0.00 0.00 0.00 149 A 7.61 3.94 1.07 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 0.00 150 D 8.72 4.24 0.00 2.75 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 0.00 151 S 8.92 3.89 0.00 3.82 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 0.00 152 A 8.43 3.95 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.19 4.13 0.00 1.56 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 1.16 2.12 0.00 154 V 7.91 4.53 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 0.51 0.00 0.00 0.82 0.00 0.00 155 R 8.11 4.55 0.00 1.71 1.63 0.00 3.02 0.00 0.00 3.07 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 156 I 8.05 3.83 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.46 0.91 0.00 0.00 157 E 9.11 4.81 0.00 1.86 1.84 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 2.31 2.22 0.00 158 S 8.21 5.11 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.