NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2867 8.2649 123.5802 52.1059 19.6646 176.2358 3 V 3.8367 7.2970 115.5254 58.7217 33.3108 175.1225 4 S 4.8312 8.8341 116.6593 56.0415 68.1977 174.5426 5 E 3.9534 8.6543 121.8895 59.5551 29.0205 179.6642 6 S 4.0521 7.9705 112.7717 61.4689 62.7103 175.8684 7 Q 3.9615 7.8713 122.1067 59.1056 28.6456 178.1327 8 L 3.9631 8.0823 120.1139 57.7411 41.4315 179.5549 9 K 3.9078 8.0013 117.5082 59.1519 32.0754 178.9796 10 K 4.0590 7.7282 119.8550 59.9495 31.9776 178.7842 11 M 4.1050 7.6996 116.9662 57.5814 31.9856 178.0357 12 V 3.9710 7.1627 111.8614 60.8898 32.6644 178.1281 13 S 4.1200 7.6569 118.2833 61.5469 62.7802 175.8879 14 K 4.3837 8.0297 116.3060 56.7539 32.4584 176.5264 15 Y 4.3346 8.0563 117.3484 57.6892 38.3518 175.8423 16 K 3.9199 8.4604 123.4046 58.2847 32.7623 176.9536 17 Y 4.8917 7.4015 115.7182 55.3936 38.6444 175.7166 18 R 3.9821 8.3032 122.9051 59.3757 30.7558 177.8834 19 D 4.4121 8.1582 118.0543 57.4675 40.9878 178.8178 20 L 4.1850 8.0783 119.0448 58.0696 41.6958 179.5968 21 T 4.2635 8.0960 115.4281 66.6368 68.3807 177.0727 22 V 3.5630 8.1291 120.4533 65.8903 31.5708 177.8554 23 R 3.8936 8.4393 118.8919 59.7000 29.8801 178.1428 24 E 4.0699 8.2245 118.4424 59.4442 29.5573 178.8075 25 T 3.8170 8.0886 115.9841 66.5706 68.4896 176.6657 26 V 3.5764 8.0641 120.3185 66.1170 31.4014 177.7711 27 N 4.3456 8.1339 116.2218 56.2266 38.3842 177.6042 28 V 3.7589 8.0801 119.9019 66.0681 31.6151 178.0135 29 I 4.2624 7.7947 110.4625 63.2611 37.5044 177.5794 30 T 4.1043 7.5081 117.2791 66.1499 68.5901 176.1200 31 L 4.1432 7.4798 121.2457 56.0707 43.3108 176.1759 32 Y 4.5916 8.0411 118.4572 55.4734 37.2702 176.1264 33 K 3.9611 8.4314 123.9230 58.6866 32.6951 177.4407 34 D 4.7823 8.1742 117.0633 53.6771 41.2072 174.2902 35 L 5.1077 7.7548 117.6785 52.6651 43.4989 176.0430 36 K 4.7560 9.1106 123.5059 53.7705 35.5126 173.5459 37 P 4.9349 0.0000 0.0000 62.4271 32.5580 175.5955 38 V 4.4242 8.5939 122.3895 61.1842 35.5927 173.2736 39 L 4.9718 8.5114 129.1393 54.0289 42.8650 174.6609 40 D 5.1037 9.2519 125.5626 52.7538 45.8059 173.5762 41 S 5.1649 8.8154 115.8880 57.4193 64.5456 172.8860 42 Y 4.1048 8.6577 125.8893 57.0189 39.0260 174.5592 43 G 4.0505 8.9701 119.8997 45.4384 0.0000 173.1821 44 T 4.4357 7.0187 115.2864 61.2755 72.0325 174.9568 *48 G 3.8464 8.6399 113.3193 45.4095 0.0000 173.9492 49 S 4.3510 7.9343 112.1278 59.5165 64.2040 174.7479 50 R 4.3457 7.8193 125.1635 55.2757 27.9543 174.2915 51 E 4.8502 8.0012 120.2010 55.9899 30.8795 176.8227 52 L 5.1382 9.4454 123.4106 53.5519 47.1245 174.8319 53 M 4.9948 9.6357 122.1867 55.0869 33.8179 174.7520 54 N 5.3079 9.1086 121.8998 51.0873 41.7381 173.0337 55 L 4.9469 8.5338 120.4509 53.5930 43.7972 175.7096 56 T 4.8244 9.8968 120.9778 60.9497 71.8880 174.1108 57 G 4.4722 7.1784 111.2255 46.2022 0.0000 171.8441 58 T 5.8510 8.0969 114.9467 58.7015 72.4855 173.9506 59 I 4.7446 8.0332 115.0051 58.2285 41.1426 172.6651 60 P 4.8046 0.0000 0.0000 62.8737 32.0647 175.7235 61 V 4.5153 9.0204 126.2956 59.9953 33.9497 172.7155 62 P 4.9831 0.0000 0.0000 62.8813 32.3926 175.4034 63 Y 4.5958 9.8305 125.8533 56.3688 40.7555 175.1780 64 R 3.6033 9.2074 128.9966 57.4072 27.1932 176.7903 65 G 3.9949 8.3548 98.5435 46.1985 0.0000 172.3831 66 N 5.0033 7.8726 114.5435 51.7155 43.3489 173.6397 67 T 5.0765 8.3745 119.9318 62.6640 70.0206 173.7235 68 Y 4.5748 9.0664 123.7114 56.3849 41.5296 175.0462 69 N 4.9853 8.7539 120.8879 52.0174 38.3771 173.2989 70 I 3.9654 8.3823 124.2372 60.1190 38.7028 173.2877 71 P 5.0972 0.0000 0.0000 62.5655 32.8039 175.4033 72 I 5.2010 8.9646 117.4494 59.3795 42.1413 173.6311 73 C 4.9463 9.0642 121.9534 57.9143 35.0519 172.3589 74 L 4.8133 8.8306 126.9427 52.7323 43.8459 175.5761 75 W 4.6371 9.1277 125.9336 55.9145 30.4411 175.7021 76 L 4.8458 8.6139 125.8939 53.1872 42.0537 177.1328 77 L 4.2507 8.6052 124.3290 54.1824 42.4815 177.6328 78 D 3.3700 8.2736 118.6380 54.5905 39.4432 177.3362 79 T 4.7913 7.5108 109.5637 61.5217 69.4392 173.4812 80 Y 4.4776 8.1249 124.2834 57.6624 39.2074 173.6914 81 P 3.1363 0.0000 0.0000 62.4922 31.5973 176.3438 82 Y 4.0018 7.7910 117.7736 59.9041 38.0753 175.4598 83 N 5.0983 7.7487 116.0071 50.1959 41.8963 172.4464 84 P 2.9700 0.0000 0.0000 61.1860 32.1057 174.2166 85 P 4.5506 0.0000 0.0000 62.8265 32.7958 175.2584 86 I 4.2780 8.3962 121.4922 60.0484 38.9075 174.6632 87 C 5.3758 8.2951 124.3222 57.9833 31.3653 173.0213 88 F 5.4005 9.1107 120.2176 55.8303 43.3197 173.7667 89 V 4.3988 8.7818 121.9104 61.9039 32.6302 176.3216 90 K 4.6533 8.7414 128.4665 53.3054 31.8589 173.7461 91 P 4.2565 0.0000 0.0000 62.7802 32.1332 177.4357 92 T 4.4275 8.0560 111.0614 60.2803 70.9406 175.1406 93 S 4.2453 8.5446 115.0222 60.5593 63.3061 174.7446 94 S 4.6254 7.8248 114.9684 58.2507 63.1220 172.7609 95 M 5.3887 7.7139 117.9314 54.3561 34.7979 174.1488 96 T 4.7840 8.8848 108.3579 59.6320 72.5590 173.4220 97 I 4.1223 8.4444 124.6329 61.5845 37.9440 176.1049 98 K 4.4347 8.7783 129.8158 54.8554 31.6290 175.4595 99 T 4.2070 8.3723 123.6348 63.5578 69.3817 174.0874 100 G 4.2665 8.9068 114.4134 45.4917 0.0000 173.6974 101 K 3.6955 9.1799 120.8864 59.7253 32.2071 178.2906 102 H 5.1304 8.1142 111.9994 54.5499 29.4323 173.9771 103 V 5.0236 7.7413 119.8851 61.5430 34.5513 174.4204 104 D 4.8211 8.9215 126.9375 51.5295 41.5732 176.6626 105 A 4.0346 8.5548 120.3999 54.7664 18.1512 178.1896 106 N 4.6494 8.5230 110.6557 53.4773 38.9813 176.1991 107 G 4.0664 8.7079 108.0014 44.9804 0.0000 173.1617 108 K 4.0543 8.2624 121.7747 56.1969 33.3780 175.6405 109 I 5.0000 8.1849 128.6914 60.7023 38.1415 174.7924 110 Y 4.7670 9.2437 124.1121 56.2409 41.0030 174.9972 111 L 4.8430 8.4787 122.6444 51.5432 46.3045 175.1652 112 P 4.3567 0.0000 0.0000 66.1072 31.0002 178.3171 113 Y 4.0041 8.1200 116.9631 60.6755 38.9626 177.8770 114 L 4.5080 8.0111 119.4121 58.0798 41.7991 178.5170 115 H 4.3022 8.4215 117.3499 58.4010 29.8032 175.5732 116 E 4.4647 7.8045 115.5899 55.1697 29.7765 175.3856 117 W 3.9753 7.3791 128.5363 58.1799 31.1532 175.4805 118 K 4.5075 7.9109 122.8688 55.8909 35.1777 174.6003 119 H 4.2612 8.5143 122.8954 55.2466 30.3563 172.9584 120 P 4.1277 0.0000 0.0000 62.6005 31.8660 176.5962 121 Q 3.9013 7.7146 118.6211 58.4472 28.8426 176.7024 122 S 4.1136 7.2889 113.7599 56.7095 64.1940 173.5119 123 D 4.9676 8.2520 123.3569 51.1109 43.7560 176.5607 124 L 4.3330 8.7651 118.2164 57.9563 41.4747 179.8992 125 L 4.2182 8.6757 119.2650 57.7868 41.5823 179.8171 126 G 3.5072 8.8427 106.0980 47.4872 0.0000 175.4620 127 L 3.2096 7.8524 122.7108 57.9148 42.1497 179.2807 128 I 3.5167 7.9454 119.9298 64.1047 36.8990 178.2234 129 Q 3.9159 7.9668 120.6606 59.0592 28.8650 178.5236 130 V 3.4068 7.4690 119.1790 66.2227 31.5669 177.7737 131 M 3.2862 7.8636 118.5130 58.3095 31.8117 178.8324 132 I 3.7652 7.7333 119.8507 64.2253 37.1021 178.7767 133 V 3.5504 7.5176 118.5712 65.9788 31.3767 178.2920 134 V 3.5387 7.9268 118.3376 66.1638 31.0909 178.0320 135 F 5.0885 7.9657 118.9324 59.6479 38.4910 177.9448 136 G 3.8547 7.8704 104.4856 47.2148 0.0000 174.8264 137 D 4.9718 7.7326 119.5172 55.3365 42.1402 175.9650 138 E 4.5986 8.6200 119.8771 53.4056 31.1768 172.4377 139 P 4.1719 0.0000 0.0000 61.5034 31.8869 175.1112 140 P 4.4331 0.0000 0.0000 64.0402 32.4462 175.7904 141 V 4.8621 6.6815 112.1334 60.0725 35.8250 174.1080 142 F 4.8094 8.7451 120.4935 55.6519 43.4700 174.7073 143 S 4.7934 8.7838 117.2169 58.4169 63.7886 174.3057 144 R 4.1726 8.4002 122.8493 55.3294 30.3276 175.2793 145 P 4.4025 0.0000 0.0000 63.0199 31.3799 176.1406 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 A 8.26 4.29 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 3 V 7.30 3.84 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 0.71 0.00 0.00 0.91 0.00 0.00 4 S 8.83 4.83 0.00 3.98 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 5 E 8.65 3.95 0.00 2.03 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 0.00 2.40 2.37 0.00 6 S 7.97 4.05 0.00 3.88 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 7 Q 7.87 3.96 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 8 L 8.08 3.96 0.00 1.87 1.65 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.00 3.91 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.77 7.81 10 K 7.73 4.06 0.00 1.76 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 M 7.70 4.10 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 12 V 7.16 3.97 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 0.03 0.00 0.00 0.85 0.00 0.00 13 S 7.66 4.12 0.00 3.84 3.98 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 14 K 8.03 4.38 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 15 Y 8.06 4.33 0.00 3.08 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 16 K 8.46 3.92 0.00 1.40 0.74 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.05 0.96 7.81 17 Y 7.40 4.89 0.00 3.43 2.97 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 18 R 8.30 3.98 0.00 1.91 2.00 0.00 3.17 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 19 D 8.16 4.41 0.00 2.77 2.78 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 20 L 8.08 4.18 0.00 1.87 1.81 0.93 0.84 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 21 T 8.10 4.26 4.52 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 1.22 0.00 0.00 22 V 8.13 3.56 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 1.08 0.00 0.00 0.97 0.00 0.00 23 R 8.44 3.89 0.00 2.04 2.14 0.00 3.20 0.00 0.00 3.13 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 24 E 8.22 4.07 0.00 2.37 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 2.64 2.51 0.00 25 T 8.09 3.82 4.37 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 1.17 0.00 0.00 26 V 8.06 3.58 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 1.04 0.00 0.00 1.01 0.00 0.00 27 N 8.13 4.35 0.00 3.02 2.89 0.00 0.00 6.69 7.84 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 28 V 8.08 3.76 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 1.00 0.00 0.00 1.06 0.00 0.00 29 I 7.79 4.26 1.87 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 1.84 0.71 1.01 0.00 0.00 30 T 7.51 4.10 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 1.17 0.00 0.00 31 L 7.48 4.14 0.00 1.33 1.29 0.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.04 4.59 0.00 3.14 2.86 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 33 K 8.43 3.96 0.00 1.75 1.89 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.37 7.81 34 D 8.17 4.78 0.00 2.76 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 35 L 7.75 5.11 0.00 1.77 1.54 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36 K 9.11 4.76 0.00 1.53 1.62 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.46 7.81 37 P 0.00 4.93 0.00 2.01 1.99 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 38 V 8.59 4.42 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 0.94 0.00 0.00 0.86 0.00 0.00 39 L 8.51 4.97 0.00 1.68 1.59 1.10 1.14 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 40 D 9.25 5.10 0.00 2.84 2.63 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 41 S 8.82 5.16 0.00 4.21 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 42 Y 8.66 4.10 0.00 1.43 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 0.00 0.00 0.00 0.00 43 G 8.97 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 0.00 0.00 0.00 0.00 44 T 7.02 4.44 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 1.20 0.00 0.00 *48 G 8.64 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 49 S 7.93 4.35 0.00 3.98 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 50 R 7.82 4.35 0.00 1.88 2.04 0.00 3.10 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 51 E 8.00 4.85 0.00 1.99 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 2.38 2.39 0.00 52 L 9.45 5.14 0.00 1.97 2.00 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 M 9.64 4.99 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.40 0.00 54 N 9.11 5.31 0.00 1.96 1.70 0.00 0.00 6.73 6.24 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 55 L 8.53 4.95 0.00 1.45 1.53 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.90 4.82 4.11 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 1.11 0.00 0.00 57 G 7.18 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 5.85 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 59 I 8.03 4.74 1.70 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 1.38 0.73 0.59 0.00 0.00 60 P 0.00 4.80 0.00 2.17 2.20 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 61 V 9.02 4.52 2.19 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 1.20 0.00 0.00 1.05 0.00 0.00 62 P 0.00 4.98 0.00 2.19 2.12 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 63 Y 9.83 4.60 0.00 2.87 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 64 R 9.21 3.60 0.00 1.60 1.77 0.00 2.92 0.00 0.00 3.03 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.00 65 G 8.35 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 66 N 7.87 5.00 0.00 3.10 2.45 0.00 0.00 7.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.37 5.08 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 1.26 0.00 0.00 68 Y 9.07 4.57 0.00 2.92 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 69 N 8.75 4.99 0.00 2.62 2.80 0.00 0.00 7.02 7.45 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 70 I 8.38 3.97 1.84 0.00 0.00 0.67 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 0.92 0.63 0.00 0.00 71 P 0.00 5.10 0.00 2.25 2.16 0.00 3.54 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 72 I 8.96 5.20 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.93 0.00 0.00 73 C 9.06 4.95 0.00 2.85 2.76 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 74 L 8.83 4.81 0.00 1.44 1.47 0.85 0.61 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 75 W 9.13 4.64 0.00 3.19 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 76 L 8.61 4.85 0.00 1.81 1.69 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.61 4.25 0.00 1.73 1.55 0.95 1.04 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 78 D 8.27 3.37 0.00 2.50 2.31 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 79 T 7.51 4.79 4.44 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 1.24 0.00 0.00 80 Y 8.12 4.48 0.00 3.16 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 81 P 0.00 3.14 0.00 1.75 1.32 0.00 3.66 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 0.98 1.60 0.00 82 Y 7.79 4.00 0.00 3.05 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 83 N 7.75 5.10 0.00 2.67 2.63 0.00 0.00 6.95 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 84 P 0.00 2.97 0.00 1.82 1.61 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.05 0.00 85 P 0.00 4.55 0.00 2.00 1.94 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 86 I 8.40 4.28 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.06 0.81 0.00 0.00 87 C 8.30 5.38 0.00 2.75 2.76 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 88 F 9.11 5.40 0.00 2.96 2.91 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 0.00 0.00 0.00 0.00 89 V 8.78 4.40 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 0.65 0.00 0.00 0.75 0.00 0.00 90 K 8.74 4.65 0.00 1.58 1.70 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.46 7.81 91 P 0.00 4.26 0.00 2.16 2.03 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 1.99 1.96 0.00 92 T 8.06 4.43 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 93 S 8.54 4.25 0.00 4.00 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 94 S 7.82 4.63 0.00 4.07 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 95 M 7.71 5.39 0.00 1.92 2.05 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 2.49 2.48 0.00 96 T 8.88 4.78 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 97 I 8.44 4.12 1.90 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 1.24 0.55 0.94 0.00 0.00 98 K 8.78 4.43 0.00 1.95 1.81 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.74 1.57 7.81 99 T 8.37 4.21 4.26 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 1.27 0.00 0.00 100 G 8.91 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 0.00 0.00 0.00 0.00 101 K 9.18 3.70 0.00 1.66 1.75 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 1.37 7.81 102 H 8.11 5.13 0.00 3.40 3.50 0.00 5.93 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 0.00 103 V 7.74 5.02 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 1.10 0.00 0.00 1.05 0.00 0.00 104 D 8.92 4.82 0.00 3.02 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 0.00 105 A 8.55 4.03 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 0.00 106 N 8.52 4.65 0.00 3.08 3.04 0.00 0.00 7.16 7.59 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 0.00 107 G 8.71 4.07 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 0.00 108 K 8.26 4.05 0.00 1.88 2.04 0.00 1.35 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.86 0.86 7.81 109 I 8.18 5.00 1.84 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 1.04 0.00 0.00 110 Y 9.24 4.77 0.00 2.90 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 0.00 111 L 8.48 4.84 0.00 1.74 1.56 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.36 0.00 2.24 2.18 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 113 Y 8.12 4.00 0.00 2.95 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 0.00 114 L 8.01 4.51 0.00 1.99 1.75 0.91 1.08 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 0.00 115 H 8.42 4.30 0.00 3.19 3.57 0.00 5.92 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 0.00 116 E 7.80 4.46 0.00 2.07 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 2.50 2.08 0.00 117 W 7.38 3.98 0.00 3.64 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 0.00 118 K 7.91 4.51 0.00 1.88 1.78 0.00 1.28 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.12 1.17 7.81 119 H 8.51 4.26 0.00 2.67 2.58 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.13 0.00 1.95 1.64 0.00 3.65 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 121 Q 7.71 3.90 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 122 S 7.29 4.11 0.00 2.72 2.63 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 0.00 123 D 8.25 4.97 0.00 3.26 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 0.00 124 L 8.77 4.33 0.00 2.06 1.85 0.68 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.68 4.22 0.00 1.76 1.79 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.84 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.85 3.21 0.00 2.13 2.00 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.95 3.52 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.17 0.00 0.00 129 Q 7.97 3.92 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 130 V 7.47 3.41 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 0.78 0.00 0.00 0.67 0.00 0.00 131 M 7.86 3.29 0.00 1.77 2.03 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 2.56 2.16 0.00 132 I 7.73 3.77 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.96 0.00 0.00 133 V 7.52 3.55 2.14 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 0.98 0.00 0.00 0.96 0.00 0.00 134 V 7.93 3.54 1.68 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 0.86 0.00 0.00 0.78 0.00 0.00 135 F 7.97 5.09 0.00 3.10 2.85 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 0.00 136 G 7.87 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 0.00 137 D 7.73 4.97 0.00 2.70 2.94 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 0.00 138 E 8.62 4.60 0.00 2.12 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 2.32 2.36 0.00 139 P 0.00 4.17 0.00 0.57 1.06 0.00 3.62 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.35 0.00 140 P 0.00 4.43 0.00 1.64 1.54 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 141 V 6.68 4.86 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 0.57 0.00 0.00 0.64 0.00 0.00 142 F 8.75 4.81 0.00 2.89 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 0.00 143 S 8.78 4.79 0.00 3.82 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 0.00 144 R 8.40 4.17 0.00 1.73 1.90 0.00 3.18 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 145 P 0.00 4.40 0.00 2.17 2.02 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.