NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7618 8.2033 115.6672 57.9330 31.1423 175.0722 2 D 4.2286 8.0993 121.6158 57.8243 41.1888 177.9576 3 A 4.0522 8.8274 121.8472 54.2303 19.4026 177.5689 4 F 4.6573 8.0511 113.2277 58.1806 39.9242 176.8659 5 V 3.9011 7.6263 121.3335 62.6657 31.8408 175.7793 6 G 3.8885 7.6834 112.9045 44.0687 0.0000 171.2831 7 T 5.0389 7.8209 116.1326 61.5397 71.0386 174.0388 8 W 5.4456 9.7499 125.9227 54.6362 33.2581 174.4241 9 K 5.0967 9.3620 122.7261 54.6249 35.0553 175.2285 10 L 3.4601 8.1254 125.3626 55.4679 41.8955 176.3218 11 V 4.3419 8.5971 126.0653 64.1147 33.6106 175.6150 12 S 4.6993 7.4306 112.2855 57.1767 66.2331 173.2305 13 S 4.9764 8.4129 114.7540 56.6870 65.8482 172.6919 14 E 4.4721 8.6152 125.9550 55.1666 32.9722 175.0393 15 N 4.1196 9.1682 122.5134 54.4546 36.7182 176.0727 16 F 4.6313 8.2935 123.7270 61.1166 39.5037 176.3305 17 D 4.1538 8.1693 117.2218 57.3672 41.1089 177.8096 18 D 4.3740 8.0577 119.0876 57.2692 40.9028 177.8863 19 Y 4.0339 8.0750 120.1063 61.1146 38.7952 178.1022 20 M 3.7934 7.9725 119.4837 57.9533 31.7619 178.9794 21 K 3.8983 7.8694 118.7784 59.5954 32.0515 179.2180 22 E 3.9387 7.7118 117.2910 59.3722 29.4137 179.3911 23 V 3.8526 7.3602 117.4756 64.1663 31.4868 176.8069 24 G 4.0631 7.4393 106.3667 45.2533 0.0000 173.4831 25 V 3.7140 7.7027 119.5891 61.8513 32.1611 177.0075 26 G 3.8643 8.3883 112.9646 44.0468 0.0000 174.2060 27 F 4.1124 8.8712 122.1894 61.3644 39.2317 177.1716 28 A 3.7836 8.0923 119.3817 55.6129 18.1693 179.5478 29 T 3.7201 7.7811 113.5665 66.8328 68.5657 176.9476 30 R 3.8143 8.2140 120.3246 59.0772 29.7961 179.3176 31 K 3.7711 7.5870 117.6784 59.2286 32.2134 179.3087 32 V 3.4311 7.7847 118.3997 65.8862 31.3362 177.9143 33 A 4.2335 8.3484 121.0157 55.2227 17.9890 179.8207 34 G 3.7725 8.1343 103.1849 47.6093 0.0000 175.2331 35 M 4.3282 7.7356 118.9522 55.6735 32.6159 176.5841 36 A 4.2887 7.2567 121.4758 51.8792 19.1646 177.7710 37 K 4.4395 8.2138 124.4558 53.4237 31.6183 173.5765 38 P 4.8249 0.0000 0.0000 62.3225 33.3968 174.4926 39 N 5.4360 8.9903 118.7899 51.8823 41.4727 173.3568 40 M 4.9478 9.4382 124.0703 54.0110 34.6125 174.4512 41 I 5.0870 9.1331 126.9520 59.6793 40.4502 174.4252 42 I 5.2260 8.9391 128.3132 59.5453 40.1632 174.9986 43 S 5.0240 8.9209 119.9510 56.9055 66.9230 172.9353 44 V 4.7457 8.2508 119.8238 61.2233 34.6726 174.6157 45 N 4.7180 8.9535 125.5137 52.4705 41.3462 174.4748 46 G 3.8138 8.2419 118.3870 47.1415 0.0000 172.6844 47 D 4.6899 8.6468 124.8263 52.6378 39.6651 174.7680 48 L 4.6593 7.7842 121.2803 53.5219 43.5798 175.4696 49 V 4.4606 8.0791 124.4126 61.2493 34.0739 174.4009 50 T 4.9026 8.7140 123.7695 61.7004 72.0061 172.8949 51 I 4.9326 8.8596 126.7441 59.5324 40.3716 174.3972 52 R 5.1352 9.2177 128.0928 54.4057 33.1077 174.0459 53 S 5.2441 9.1091 120.7372 56.5274 65.3466 172.2467 54 E 5.3459 9.2504 126.7360 54.6605 31.3376 175.2119 55 S 4.9970 9.0831 117.7099 56.8979 66.4270 175.2665 56 T 3.9702 8.5698 111.3653 64.6121 68.5019 175.3543 57 F 4.6090 7.2837 120.0647 59.3286 39.5131 176.1756 58 K 4.5002 8.1687 118.8478 55.2954 35.4013 173.8616 59 N 5.4223 8.7762 123.4168 51.7537 40.8567 174.0313 60 T 4.8396 8.8561 112.5664 60.1948 72.7050 172.4774 61 E 5.2373 8.5139 122.5206 55.1619 32.8506 174.0902 62 I 4.8368 8.9282 119.8708 59.2531 41.1442 174.2934 63 S 5.0752 8.5861 120.5355 56.7432 65.8528 173.1047 64 F 4.5247 8.0099 117.9177 55.6706 41.9041 172.4977 65 K 5.0148 8.2988 120.1288 53.4117 34.5277 175.2980 66 L 4.5363 8.5823 127.5108 56.7980 41.7659 177.3868 67 G 4.0192 9.0982 113.0123 44.8696 0.0000 173.0476 68 V 4.3297 7.2539 119.2724 60.5749 32.9264 174.8306 69 E 4.5621 8.7807 128.9117 56.5302 30.4058 175.4222 70 F 5.1260 8.8877 120.5882 55.4853 42.2983 172.7169 71 D 5.1372 8.8018 119.1362 53.6317 41.8717 175.8941 72 E 4.7821 9.0935 123.2372 54.4814 33.5888 174.0857 73 I 4.9474 8.3536 126.9163 59.6185 38.9197 175.8310 74 T 4.1223 8.6446 117.9313 60.6398 69.6098 175.5396 75 A 3.9445 8.5465 125.1337 55.1722 18.4060 178.1372 76 D 4.6587 7.9790 112.8954 53.1715 39.5587 175.8060 77 D 4.4299 7.9738 117.6785 55.9807 38.6290 173.9506 78 R 4.3009 7.7661 117.3145 54.8162 31.4929 175.9346 79 K 4.7969 8.3834 121.2610 55.2702 33.1895 175.9802 80 V 4.7213 8.7886 118.3805 59.3615 36.1947 174.7390 81 K 4.7782 8.8501 121.4557 55.0856 33.8595 176.1432 82 S 5.0471 8.5026 121.0407 56.6244 66.8768 173.1200 83 I 4.8582 8.1046 121.4451 59.6689 41.6721 173.6295 84 I 5.1531 8.5818 129.4861 59.6857 40.3695 174.5590 85 T 4.9468 8.8148 116.0377 59.7405 72.7565 172.5806 86 L 5.0280 8.4869 124.1471 53.6760 43.4630 175.3538 87 D 4.7267 8.9344 127.1511 53.3839 43.6812 176.3654 88 G 4.0558 9.9077 113.1184 46.6243 0.0000 174.1901 89 G 3.9538 8.7536 105.5201 44.7864 0.0000 173.6863 90 A 5.1437 7.9147 121.1898 49.8878 22.5754 175.7973 91 L 4.6257 8.4723 120.9644 53.8103 43.2565 176.0108 92 V 4.4442 8.7880 125.5166 61.1348 33.6756 173.9696 93 Q 5.0728 9.0596 129.9746 54.2127 31.8873 174.1086 94 V 4.8659 8.5584 125.7418 61.2043 34.6016 173.8893 95 Q 5.1461 9.1060 126.8227 54.0983 31.4649 174.7007 96 K 5.4675 8.9066 123.1139 54.4936 35.9339 175.2998 97 W 4.8973 9.2241 118.7811 56.4167 31.8521 174.2905 98 D 4.3413 9.9477 122.4413 55.4706 37.9604 174.8113 99 G 3.7671 8.2509 104.2071 45.5206 0.0000 173.7407 100 K 4.3113 7.2256 119.3801 54.4860 34.7240 174.8003 101 S 5.7808 7.5591 112.7596 58.2676 65.7738 173.3319 102 T 4.9786 8.6617 114.3225 61.1276 71.1259 172.1576 103 T 5.1228 8.4782 122.5487 61.8323 71.4117 173.8015 104 I 4.6584 9.0346 126.2110 59.5861 40.5596 174.3888 105 K 4.9758 9.1143 127.5073 54.5828 34.7682 175.5655 106 R 5.0808 8.8554 124.3119 54.2433 32.6910 175.1799 107 K 5.2309 9.1899 122.7525 55.3559 36.7620 175.3620 108 R 4.6078 8.4204 119.8069 55.3310 31.6910 176.2733 109 D 4.4699 8.7327 122.2612 53.1829 43.7581 176.2304 110 G 3.8263 8.2441 119.5197 47.0674 0.0000 172.7729 111 D 4.7808 9.0160 123.7079 52.7243 39.7705 175.6156 112 K 4.9435 8.1066 120.2290 55.1592 35.4902 174.6662 113 L 4.7393 8.6057 123.0860 53.2271 44.4747 175.0231 114 V 4.8370 8.9837 126.5414 61.0708 34.3056 174.1805 115 V 4.7433 8.9251 127.8797 61.2503 33.9852 174.0814 116 E 5.4408 8.8434 128.6193 53.3070 33.7279 174.0559 *118 V 4.4632 8.0278 118.9145 63.0793 33.2709 174.3115 119 M 4.7381 9.2131 127.1337 54.7545 34.5251 174.8934 120 K 4.0287 9.9235 128.6535 57.5227 29.7503 175.4718 121 G 4.1051 8.2572 106.3208 45.4665 0.0000 173.6723 122 V 3.9424 7.8061 120.6481 62.2464 32.0593 174.6910 123 T 4.8598 8.5115 116.9874 59.7337 71.0309 172.9165 124 S 5.0684 8.4572 119.3463 56.7465 65.8536 172.4353 125 T 4.8955 8.6671 122.0203 61.8408 71.9445 172.9892 126 R 4.9541 9.1884 125.5697 54.2940 33.6424 174.6251 127 V 4.8307 8.5495 124.0407 61.4553 33.9155 174.0703 128 Y 5.3539 9.2892 125.0127 56.1547 41.8489 174.3452 129 E 5.4371 9.1596 119.1293 54.2425 33.5533 175.3167 130 R 3.9217 8.6296 119.5075 56.1658 30.8549 176.8082 131 A 4.1325 8.3872 125.4090 52.4849 18.5000 177.2413 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 C 8.20 4.76 0.00 3.39 3.42 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 0.00 0.00 0.00 0.00 2 D 8.10 4.23 0.00 2.92 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 3 A 8.83 4.05 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 4 F 8.05 4.66 0.00 3.27 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 5 V 7.63 3.90 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 0.77 0.00 0.00 1.01 0.00 0.00 6 G 7.68 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 7 T 7.82 5.04 4.14 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 1.22 0.00 0.00 8 W 9.75 5.45 0.00 3.16 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 9 K 9.36 5.10 0.00 1.79 1.95 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.40 7.81 10 L 8.13 3.46 0.00 1.20 1.40 0.24 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.60 4.34 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 0.83 0.00 0.00 1.00 0.00 0.00 12 S 7.43 4.70 0.00 3.85 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 13 S 8.41 4.98 0.00 3.71 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 14 E 8.62 4.47 0.00 2.05 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 2.22 2.29 0.00 15 N 9.17 4.12 0.00 3.15 2.95 0.00 0.00 6.76 8.13 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 16 F 8.29 4.63 0.00 3.09 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 17 D 8.17 4.15 0.00 2.84 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 18 D 8.06 4.37 0.00 2.95 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 19 Y 8.08 4.03 0.00 3.14 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 20 M 7.97 3.79 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.27 0.00 21 K 7.87 3.90 0.00 1.92 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.66 7.81 22 E 7.71 3.94 0.00 1.98 1.95 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 2.51 2.46 0.00 23 V 7.36 3.85 1.90 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 0.66 0.00 0.00 0.34 0.00 0.00 24 G 7.44 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 25 V 7.70 3.71 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 0.70 0.00 0.00 0.85 0.00 0.00 26 G 8.39 3.86 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 0.00 0.00 0.00 27 F 8.87 4.11 0.00 3.09 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 28 A 8.09 3.78 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 29 T 7.78 3.72 4.30 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 1.17 0.00 0.00 30 R 8.21 3.81 0.00 1.88 2.02 0.00 3.21 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.87 0.00 31 K 7.59 3.77 0.00 1.55 1.61 0.00 1.28 0.00 0.00 1.33 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 0.82 7.81 32 V 7.78 3.43 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 0.39 0.00 0.00 0.69 0.00 0.00 33 A 8.35 4.23 1.52 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 34 G 8.13 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 0.00 0.00 0.00 35 M 7.74 4.33 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 36 A 7.26 4.29 1.45 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 37 K 8.21 4.44 0.00 1.68 1.70 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.34 7.81 38 P 0.00 4.82 0.00 2.24 2.04 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 39 N 8.99 5.44 0.00 2.72 2.77 0.00 0.00 6.86 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 40 M 9.44 4.95 0.00 1.84 1.58 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 41 I 9.13 5.09 1.91 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 1.27 0.69 0.94 0.00 0.00 42 I 8.94 5.23 2.29 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 1.32 1.05 0.98 0.00 0.00 43 S 8.92 5.02 0.00 3.84 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 44 V 8.25 4.75 2.07 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 0.77 0.00 0.00 0.92 0.00 0.00 45 N 8.95 4.72 0.00 2.66 2.56 0.00 0.00 6.90 7.80 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 46 G 8.24 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 0.00 0.00 0.00 47 D 8.65 4.69 0.00 2.80 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 48 L 7.78 4.66 0.00 1.69 1.44 0.85 0.55 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 49 V 8.08 4.46 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 0.00 0.00 0.88 0.00 0.00 0.73 0.00 0.00 50 T 8.71 4.90 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 1.24 0.00 0.00 51 I 8.86 4.93 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 1.17 1.27 0.92 0.00 0.00 52 R 9.22 5.14 0.00 1.84 1.76 0.00 3.24 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 53 S 9.11 5.24 0.00 3.92 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 54 E 9.25 5.35 0.00 1.94 1.81 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 2.22 2.24 0.00 55 S 9.08 5.00 0.00 3.93 3.96 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 0.00 0.00 0.00 56 T 8.57 3.97 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 1.02 0.00 0.00 57 F 7.28 4.61 0.00 3.29 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 58 K 8.17 4.50 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 59 N 8.78 5.42 0.00 2.64 2.72 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 60 T 8.86 4.84 4.28 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 1.25 0.00 0.00 61 E 8.51 5.24 0.00 1.97 1.83 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 2.21 2.32 0.00 62 I 8.93 4.84 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 1.10 0.00 0.00 63 S 8.59 5.08 0.00 3.63 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 64 F 8.01 4.52 0.00 2.51 1.63 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 65 K 8.30 5.01 0.00 1.82 1.71 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 66 L 8.58 4.54 0.00 1.73 1.69 0.96 1.25 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 67 G 9.10 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 68 V 7.25 4.33 2.18 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 0.87 0.00 0.00 0.98 0.00 0.00 69 E 8.78 4.56 0.00 2.04 1.87 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 2.26 2.36 0.00 70 F 8.89 5.13 0.00 3.10 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 71 D 8.80 5.14 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.09 4.78 0.00 2.00 1.57 0.00 0.00 0.00 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 2.33 0.00 73 I 8.35 4.95 1.88 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 1.40 0.77 0.90 0.00 0.00 74 T 8.64 4.12 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 1.02 0.00 0.00 75 A 8.55 3.94 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 76 D 7.98 4.66 0.00 2.73 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 77 D 7.97 4.43 0.00 2.83 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 78 R 7.77 4.30 0.00 1.48 1.31 0.00 2.21 0.00 0.00 2.72 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.00 79 K 8.38 4.80 0.00 1.64 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 80 V 8.79 4.72 2.18 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 0.35 0.00 0.00 0.84 0.00 0.00 81 K 8.85 4.78 0.00 1.63 1.77 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.53 7.81 82 S 8.50 5.05 0.00 2.72 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 83 I 8.10 4.86 1.82 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 1.27 1.67 0.88 0.00 0.00 84 I 8.58 5.15 1.48 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 0.76 0.00 0.00 85 T 8.81 4.95 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 1.23 0.00 0.00 86 L 8.49 5.03 0.00 1.67 1.65 1.08 1.18 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 87 D 8.93 4.73 0.00 2.68 2.52 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 88 G 9.91 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 89 G 8.75 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 90 A 7.91 5.14 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 91 L 8.47 4.63 0.00 1.25 1.40 0.18 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.79 4.44 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 0.92 0.00 0.00 0.92 0.00 0.00 93 Q 9.06 5.07 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 94 V 8.56 4.87 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 0.94 0.00 0.00 0.93 0.00 0.00 95 Q 9.11 5.15 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 96 K 8.91 5.47 0.00 1.68 1.68 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.36 7.81 97 W 9.22 4.90 0.00 3.37 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 98 D 9.95 4.34 0.00 2.50 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 0.00 0.00 0.00 100 K 7.23 4.31 0.00 0.79 0.87 0.00 1.36 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.00 1.00 7.81 101 S 7.56 5.78 0.00 3.85 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 0.00 102 T 8.66 4.98 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 103 T 8.48 5.12 4.28 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 1.28 0.00 0.00 104 I 9.03 4.66 1.83 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 1.21 0.86 0.85 0.00 0.00 105 K 9.11 4.98 0.00 1.63 1.68 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 106 R 8.86 5.08 0.00 1.43 1.64 0.00 2.88 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 107 K 9.19 5.23 0.00 1.79 1.90 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 108 R 8.42 4.61 0.00 1.53 1.75 0.00 2.87 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.11 0.00 109 D 8.73 4.47 0.00 2.59 2.49 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 0.00 110 G 8.24 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 0.00 111 D 9.02 4.78 0.00 2.85 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 0.00 112 K 8.11 4.94 0.00 1.83 1.96 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.55 7.81 113 L 8.61 4.74 0.00 0.27 0.80 -0.32 0.58 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 0.00 114 V 8.98 4.84 2.07 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 0.96 0.00 0.00 0.93 0.00 0.00 115 V 8.93 4.74 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 0.85 0.00 0.00 0.80 0.00 0.00 116 E 8.84 5.44 0.00 2.01 1.75 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 2.16 2.13 0.00 *118 V 8.03 4.46 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 0.95 0.00 0.00 0.95 0.00 0.00 119 M 9.21 4.74 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 120 K 9.92 4.03 0.00 1.89 1.81 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 121 G 8.26 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 0.00 0.00 0.00 0.00 122 V 7.81 3.94 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 1.18 0.00 0.00 0.96 0.00 0.00 123 T 8.51 4.86 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 1.25 0.00 0.00 124 S 8.46 5.07 0.00 4.15 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 0.00 125 T 8.67 4.90 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 0.00 126 R 9.19 4.95 0.00 1.66 1.66 0.00 2.29 0.00 0.00 2.76 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.00 127 V 8.55 4.83 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 0.82 0.00 0.00 0.92 0.00 0.00 128 Y 9.29 5.35 0.00 3.00 3.05 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 0.00 129 E 9.16 5.44 0.00 2.10 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 0.00 2.24 2.31 0.00 130 R 8.63 3.92 0.00 1.48 1.53 0.00 2.94 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 131 A 8.39 4.13 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 * Residues marked with a * may have inaccurate shift predictions.