NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.1017 8.5798 109.1320 45.5607 0.0000 174.4149 *2 E 4.3113 9.1718 122.7825 55.7923 31.1954 176.5548 3 N 4.8016 7.9753 114.3717 52.8093 39.3198 174.4378 4 K 4.4961 7.6912 116.3921 56.5136 33.8877 176.1369 5 K 5.3083 9.0019 121.6664 53.5288 37.0031 174.0209 *7 N 4.9468 8.4977 117.8949 54.1278 40.3046 173.2676 8 L 5.1769 8.9375 126.7660 53.0149 44.5789 175.4627 9 L 4.8672 9.1959 127.5118 53.7603 43.0910 175.3438 10 L 4.6678 8.6428 130.7805 54.4165 41.9677 176.3606 11 F 4.7008 8.8931 130.2084 59.4041 40.9274 176.2686 12 S 4.8191 8.3205 114.5663 58.4035 63.4229 174.5457 13 G 4.1001 8.5863 112.3348 45.5930 0.0000 173.3129 14 D 5.0550 7.8708 119.1642 52.1817 43.7990 175.8777 15 Y 3.9829 8.9864 125.7563 61.1261 38.8606 178.7267 16 D 4.4774 8.2632 119.3650 56.3869 39.6946 178.4980 17 K 4.0287 8.0973 119.3310 59.0981 32.0952 179.0083 18 A 3.9992 8.2515 121.3341 54.8280 18.1787 179.2674 19 L 3.7547 8.0649 118.8694 58.2998 42.1154 178.9874 20 A 4.0098 8.1037 120.7690 55.2852 18.2682 179.6920 21 S 4.0784 8.1695 112.6342 61.7546 62.9317 176.6417 22 L 4.1012 8.2550 122.5556 56.8414 41.3894 179.3572 23 I 3.7028 8.0091 120.3500 64.3885 36.9946 178.4758 24 I 3.6904 8.0014 120.4330 64.2506 36.9698 178.3518 25 A 3.9537 8.1611 121.6681 55.3693 18.3728 179.4545 26 N 4.2797 8.4831 115.0544 56.3583 38.3493 177.5855 27 A 4.1515 7.6936 120.7937 54.9567 18.7005 179.1587 28 A 4.0862 8.1710 119.3914 55.5252 18.2728 179.9991 29 R 4.0363 7.8266 115.1064 59.2108 30.4463 180.2504 30 E 4.2526 7.7785 118.8242 55.7743 29.1297 177.4268 *32 E 4.2907 7.9639 114.6337 56.0574 31.2943 176.0580 33 I 4.1995 7.7858 120.2435 60.8775 38.0362 175.5535 34 E 4.1493 8.9305 128.3119 56.0424 30.8730 175.3796 35 V 4.5393 8.3972 126.1947 61.3411 34.7036 173.8235 36 T 4.9345 8.5524 123.8568 61.7911 71.6312 172.9148 37 I 4.8248 8.7101 127.6129 59.5963 40.0376 174.5623 38 F 5.3626 9.4963 131.6404 57.1654 40.4327 174.1274 39 C 5.0572 8.8348 125.3100 58.6080 29.0800 173.4586 40 A 4.4452 8.4877 124.4682 49.7615 23.0176 178.0507 41 F 2.9551 8.6087 119.6792 57.8663 39.4194 179.9192 42 W 4.4498 7.9009 131.0659 60.4591 28.4721 177.3465 43 G 3.7903 8.0141 105.6187 47.3188 0.0000 175.5430 44 L 3.9816 7.8539 120.9649 57.7032 41.4544 179.4030 45 L 3.7884 7.9410 118.8854 57.4771 41.2377 178.9225 46 L 3.9187 7.4996 119.2820 58.0644 42.3281 178.3243 47 L 4.2119 7.8608 116.8376 54.0549 41.8600 176.8219 48 R 3.8338 6.7818 119.3688 55.8423 30.4742 175.6033 49 D 4.1369 8.3536 123.6985 51.8301 41.2427 175.1772 50 P 4.1893 0.0000 0.0000 66.2395 31.4059 177.0213 51 E 4.5476 7.9263 113.4827 55.7206 29.7372 180.5594 52 K 4.5637 7.7676 114.5617 57.5719 35.3549 176.6577 53 A 4.1950 7.7721 122.0886 52.6176 18.9086 177.3939 54 S 4.6345 8.3496 113.2794 57.4634 65.5652 174.3272 55 Q 4.5382 8.6547 126.0612 56.1975 29.4496 176.4826 56 E 4.1254 8.1010 117.7282 57.3628 30.3332 182.0048 57 D 4.6833 8.7247 118.0073 54.1767 37.1996 173.7865 58 K 4.8702 7.2509 115.0144 54.5613 35.6918 177.2709 59 S 4.4138 8.6847 117.2061 57.4615 65.0854 175.1449 60 L 3.9741 8.4445 122.9319 59.0100 41.6355 178.6637 61 Y 4.2906 8.0340 115.8003 61.0625 37.8773 178.0555 62 E 3.9696 8.1761 119.1912 59.4949 29.5466 179.4476 63 Q 4.0234 8.5782 118.2559 58.8071 28.7921 178.6958 64 A 3.9544 8.3271 121.9666 55.0491 18.5031 179.1650 65 F 3.9601 8.6222 119.6567 61.8095 39.2023 177.3867 66 S 4.2623 8.0698 111.0127 61.4518 62.2573 175.6953 67 S 4.2570 7.9746 115.1221 60.6518 62.1810 175.4025 68 L 4.3013 7.4386 120.4849 55.8841 42.1847 177.5407 69 T 4.0223 6.8079 107.3365 60.0220 69.4897 172.3098 70 P 4.2773 0.0000 0.0000 63.8056 31.5299 176.8112 71 R 4.2440 8.9898 121.4430 56.5085 30.8043 175.6881 72 E 4.5583 7.5171 114.3229 55.1667 31.9927 176.2117 73 A 3.9613 8.5166 122.3288 55.4755 18.3587 179.7312 74 E 4.2766 8.1480 114.6720 58.9111 29.8536 177.0501 75 E 4.3854 8.1365 116.2518 56.5158 29.8839 176.5668 76 L 4.3513 7.8266 120.4682 54.1988 42.3818 175.5183 77 P 4.6872 0.0000 0.0000 62.2085 33.0506 175.6030 78 L 4.6604 8.7206 121.5601 54.9115 41.6435 178.0695 79 S 4.3885 9.4481 117.3768 60.7829 63.8352 174.9686 80 K 4.4878 7.4315 118.4210 54.7286 32.4985 175.0524 *82 N 4.5802 7.8472 119.1004 51.8493 41.7658 173.9205 83 L 3.5863 8.6946 116.7443 55.8135 39.2259 175.2633 84 G 3.7942 8.8588 100.6977 46.6282 0.0000 174.8057 85 G 4.0013 8.2637 108.8203 45.1338 0.0000 176.4152 86 I 3.9843 7.2903 119.7051 63.7368 37.4215 177.9615 87 G 3.6966 7.8279 105.0992 46.9805 0.0000 175.3284 88 K 4.1091 8.0564 124.2600 59.6671 32.2563 180.3241 89 K 4.1981 7.5942 122.6797 56.5755 31.3598 180.7408 *91 L 4.3783 7.8403 122.6321 55.9727 43.6535 177.8627 92 L 4.0860 7.9828 117.1595 57.8014 42.0574 178.3952 93 E 4.1638 7.8714 120.6264 55.9902 27.2164 176.3422 *96 K 4.2356 7.9998 123.7303 56.0104 34.4250 177.4123 97 E 3.9784 8.1348 117.0183 59.1775 28.7401 177.7268 98 E 4.3578 8.1868 115.4523 55.3616 30.1411 176.0457 99 K 3.7201 7.7523 117.1602 57.1009 30.2806 175.1924 100 A 4.3162 7.3023 118.1746 50.6219 19.2645 176.8658 101 P 4.4340 0.0000 0.0000 62.2066 32.3459 177.1134 102 K 4.3183 8.3966 119.5705 55.9595 33.9751 177.9413 103 L 3.7972 8.5750 122.9399 58.6614 41.8628 179.7299 104 S 4.0981 8.4455 113.7640 61.3548 62.8787 176.2301 105 D 4.3394 8.0148 122.2950 57.1099 40.6372 178.2910 106 L 3.9915 7.9659 119.5600 57.7276 41.5990 179.4055 107 L 3.9223 8.1981 120.4763 58.2026 41.9448 179.1286 108 S 4.0577 8.1042 115.2654 61.4042 62.7229 176.9061 109 G 3.5704 8.1591 108.0550 47.7604 0.0000 175.2956 110 A 4.1167 8.1711 123.9291 55.0804 18.2609 179.9654 111 R 3.9852 8.1370 116.2859 59.3511 29.8891 179.4562 112 K 3.9603 8.0287 117.3345 59.3629 32.2254 178.9268 113 K 4.1757 8.2868 115.6272 56.0372 32.4438 176.5164 114 E 3.7211 7.8729 117.8270 56.8510 27.0998 174.9686 115 V 3.5113 7.5598 118.0702 63.4485 32.4701 175.3786 116 K 4.1687 8.6332 127.4219 55.4792 33.7599 175.5088 117 F 5.0588 8.4680 123.8020 55.9877 41.2320 174.4353 118 Y 5.5391 9.2842 120.9189 55.3821 41.7113 175.1656 119 A 5.0732 8.9097 123.1050 52.5987 22.1565 178.5343 *121 Q 4.1343 8.8564 115.3224 58.0845 30.8776 176.9675 122 L 3.8801 7.8405 118.5032 58.1837 41.9116 178.7858 123 S 3.4824 7.5882 113.2629 61.4035 62.5736 176.1956 124 V 3.7272 7.5973 120.2164 66.1905 30.9288 177.8107 125 E 3.9386 7.8284 116.6764 59.3730 29.3968 179.6149 126 I 3.6417 7.4073 114.8489 62.4541 37.0123 176.9326 *128 G 3.6978 7.7454 106.7968 44.7831 0.0000 173.4881 129 F 4.7503 7.3031 118.0875 57.2005 39.6998 175.2566 130 K 4.5910 8.8971 123.7018 54.3758 34.2670 177.4901 131 K 3.8414 8.7749 122.4288 59.7622 31.9990 178.6551 132 E 4.1331 8.0731 114.2876 58.3653 29.8390 177.1625 133 E 4.1496 8.2301 118.7988 56.9667 30.0300 175.9262 134 L 4.7148 7.1554 118.3289 52.0240 44.3744 176.1544 135 F 4.3742 7.5388 118.6029 57.4290 39.3705 175.1266 136 P 4.2947 0.0000 0.0000 65.7523 31.1885 177.2793 137 E 4.2379 8.0857 112.8941 57.0279 30.1762 176.8689 138 V 4.0465 7.7264 121.0229 63.4720 32.2732 175.0558 139 Q 4.9062 8.7546 125.5068 54.2204 31.7368 175.4933 140 I 4.9314 8.6333 123.5537 60.2139 38.7920 174.6464 *142 D 4.5806 8.3887 122.8579 52.8835 40.5034 176.8940 143 V 3.7451 8.2693 118.7098 64.9560 31.0978 178.5076 144 K 3.9700 8.1226 118.6577 59.2232 31.9057 178.9978 145 E 3.8571 8.3267 118.6466 59.1393 29.3831 178.3067 146 Y 3.5834 7.6654 119.6148 60.6234 38.6469 178.3362 147 L 3.5570 8.0975 122.2898 58.0772 41.4788 180.2417 148 K 3.8285 7.8275 122.7498 59.8982 31.5736 180.2093 149 N 4.5226 7.9358 118.3831 56.2943 38.8825 176.9115 150 A 3.8114 8.1059 122.6244 55.0115 18.1441 179.6372 151 L 3.9606 7.7950 116.7074 57.3459 41.7425 178.6373 152 E 4.2602 7.5378 115.9649 56.0749 29.9401 176.4719 153 S 4.5288 7.0593 113.9024 57.6004 63.5109 173.1317 154 D 4.6680 8.5203 122.6141 54.6554 41.6554 177.0495 155 L 4.6279 7.7136 119.7865 53.3069 44.4683 174.8278 156 Q 5.0190 8.7648 124.5280 54.2156 31.6797 174.8821 157 L 5.0427 9.0455 122.7080 52.8726 46.6437 175.1577 158 F 5.2516 8.9881 122.8065 56.6350 41.6681 174.9935 159 I 4.3081 8.6897 126.5760 61.4540 37.5618 175.6022 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 0 G 8.58 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 *2 E 9.17 4.31 0.00 2.15 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 0.00 2.26 2.25 0.00 3 N 7.98 4.80 0.00 2.67 2.83 0.00 0.00 7.00 6.68 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 4 K 7.69 4.50 0.00 1.72 1.70 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.41 7.81 5 K 9.00 5.31 0.00 1.62 1.69 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.34 7.81 *7 N 8.50 4.95 0.00 2.81 2.78 0.00 0.00 6.77 6.66 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 8 L 8.94 5.18 0.00 1.66 1.61 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.20 4.87 0.00 1.84 1.57 0.74 0.24 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 10 L 8.64 4.67 0.00 1.88 1.60 0.99 0.87 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 11 F 8.89 4.70 0.00 2.60 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 12 S 8.32 4.82 0.00 4.04 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 13 G 8.59 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 14 D 7.87 5.05 0.00 2.74 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 15 Y 8.99 3.98 0.00 3.14 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 16 D 8.26 4.48 0.00 2.98 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 17 K 8.10 4.03 0.00 1.88 1.95 0.00 1.89 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.56 7.81 18 A 8.25 4.00 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 19 L 8.06 3.75 0.00 1.97 1.82 0.81 1.50 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 20 A 8.10 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 21 S 8.17 4.08 0.00 4.11 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 0.00 22 L 8.25 4.10 0.00 1.71 1.77 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.01 3.70 2.08 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 1.53 1.37 0.92 0.00 0.00 24 I 8.00 3.69 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.92 0.00 0.00 25 A 8.16 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.48 4.28 0.00 2.84 2.88 0.00 0.00 6.97 8.82 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 27 A 7.69 4.15 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 28 A 8.17 4.09 1.38 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 0.00 0.00 29 R 7.83 4.04 0.00 1.94 2.00 0.00 3.52 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 30 E 7.78 4.25 0.00 2.14 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 2.34 2.46 0.00 *32 E 7.96 4.29 0.00 1.98 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 2.21 2.34 0.00 33 I 7.79 4.20 1.88 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 0.46 0.94 0.00 0.00 34 E 8.93 4.15 0.00 2.07 1.82 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 2.31 2.25 0.00 35 V 8.40 4.54 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 0.95 0.00 0.00 0.92 0.00 0.00 36 T 8.55 4.93 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 37 I 8.71 4.82 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 1.01 0.00 0.00 38 F 9.50 5.36 0.00 3.31 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 39 C 8.83 5.06 0.00 2.87 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 40 A 8.49 4.45 1.27 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 41 F 8.61 2.96 0.00 2.39 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 42 W 7.90 4.45 0.00 3.53 3.26 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 43 G 8.01 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 44 L 7.85 3.98 0.00 1.85 1.67 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.94 3.79 0.00 1.85 1.72 1.13 0.60 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 46 L 7.50 3.92 0.00 1.65 1.82 0.89 1.35 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 47 L 7.86 4.21 0.00 1.63 1.50 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 48 R 6.78 3.83 0.00 1.59 1.65 0.00 2.64 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.00 0.00 49 D 8.35 4.14 0.00 2.12 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 0.00 0.00 0.00 50 P 0.00 4.19 0.00 2.19 2.13 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 51 E 7.93 4.55 0.00 2.01 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 2.23 2.14 0.00 52 K 7.77 4.56 0.00 1.84 1.90 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.26 7.81 53 A 7.77 4.19 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 54 S 8.35 4.63 0.00 3.79 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 55 Q 8.65 4.54 0.00 2.07 2.10 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 2.28 2.27 0.00 56 E 8.10 4.13 0.00 1.92 1.82 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 2.24 2.12 0.00 57 D 8.72 4.68 0.00 2.86 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 58 K 7.25 4.87 0.00 1.76 1.68 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.50 7.81 59 S 8.68 4.41 0.00 4.01 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 60 L 8.44 3.97 0.00 1.81 1.75 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.03 4.29 0.00 2.97 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 62 E 8.18 3.97 0.00 2.24 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 63 Q 8.58 4.02 0.00 2.28 2.18 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 2.50 2.58 0.00 64 A 8.33 3.95 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 65 F 8.62 3.96 0.00 3.14 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 66 S 8.07 4.26 0.00 4.09 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 67 S 7.97 4.26 0.00 4.11 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 68 L 7.44 4.30 0.00 1.61 1.63 0.91 1.11 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 69 T 6.81 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 70 P 0.00 4.28 0.00 2.05 2.10 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 71 R 8.99 4.24 0.00 1.74 1.92 0.00 3.35 0.00 0.00 3.46 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 72 E 7.52 4.56 0.00 2.07 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 0.00 2.17 2.23 0.00 73 A 8.52 3.96 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 74 E 8.15 4.28 0.00 1.99 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 0.00 2.36 2.49 0.00 75 E 8.14 4.39 0.00 2.16 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 0.00 2.32 2.28 0.00 76 L 7.83 4.35 0.00 1.74 1.87 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.69 0.00 2.08 2.14 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 78 L 8.72 4.66 0.00 1.53 1.78 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.45 4.39 0.00 3.96 4.03 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 80 K 7.43 4.49 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.40 7.81 *82 N 7.85 4.58 0.00 2.95 2.82 0.00 0.00 7.18 6.66 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 83 L 8.69 3.59 0.00 1.93 1.65 0.90 0.93 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 84 G 8.86 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 85 G 8.26 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 0.00 0.00 0.00 86 I 7.29 3.98 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 1.45 0.94 0.89 0.00 0.00 87 G 7.83 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 0.00 0.00 0.00 88 K 8.06 4.11 0.00 1.85 1.89 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.64 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.18 1.02 7.81 89 K 7.59 4.20 0.00 1.84 1.77 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *91 L 7.84 4.38 0.00 1.57 1.86 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.98 4.09 0.00 1.73 1.68 0.79 0.99 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 93 E 7.87 4.16 0.00 2.23 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 2.29 2.28 0.00 *96 K 8.00 4.24 0.00 1.95 2.02 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 97 E 8.13 3.98 0.00 2.02 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 0.00 2.35 2.46 0.00 98 E 8.19 4.36 0.00 2.00 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 0.00 2.34 2.27 0.00 99 K 7.75 3.72 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 100 A 7.30 4.32 1.27 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 0.00 101 P 0.00 4.43 0.00 2.20 2.07 0.00 3.79 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 1.99 1.99 0.00 102 K 8.40 4.32 0.00 1.87 2.07 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.54 7.81 103 L 8.57 3.80 0.00 0.80 1.40 0.70 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.45 4.10 0.00 4.11 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 0.00 105 D 8.01 4.34 0.00 2.84 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 0.00 106 L 7.97 3.99 0.00 1.85 1.71 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.20 3.92 0.00 1.76 1.75 0.58 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.10 4.06 0.00 4.00 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 0.00 109 G 8.16 3.57 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 0.00 0.00 0.00 0.00 110 A 8.17 4.12 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.99 0.00 1.89 1.96 0.00 2.21 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.53 0.00 112 K 8.03 3.96 0.00 1.87 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 113 K 8.29 4.18 0.00 1.74 1.84 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.60 7.81 114 E 7.87 3.72 0.00 2.06 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 0.00 2.23 2.37 0.00 115 V 7.56 3.51 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 -0.12 0.00 0.00 0.87 0.00 0.00 116 K 8.63 4.17 0.00 1.51 1.19 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.33 7.81 117 F 8.47 5.06 0.00 2.89 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 0.00 118 Y 9.28 5.54 0.00 3.15 2.96 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 0.00 119 A 8.91 5.07 1.03 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 0.00 0.00 *121 Q 8.86 4.13 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.71 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 122 L 7.84 3.88 0.00 1.78 1.57 0.88 0.99 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 0.00 123 S 7.59 3.48 0.00 3.51 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 0.00 124 V 7.60 3.73 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 1.11 0.00 0.00 0.90 0.00 0.00 125 E 7.83 3.94 0.00 2.05 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 0.00 2.30 2.30 0.00 126 I 7.41 3.64 1.54 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 1.33 0.45 0.67 0.00 0.00 *128 G 7.75 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 0.00 0.00 0.00 129 F 7.30 4.75 0.00 3.05 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 0.00 130 K 8.90 4.59 0.00 1.94 1.72 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.22 7.81 131 K 8.77 3.84 0.00 1.84 1.84 0.00 1.63 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 132 E 8.07 4.13 0.00 2.37 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 0.00 2.27 1.90 0.00 133 E 8.23 4.15 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 134 L 7.16 4.71 0.00 1.54 1.46 0.84 0.41 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 0.00 135 F 7.54 4.37 0.00 3.04 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 0.00 136 P 0.00 4.29 0.00 2.07 2.16 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 137 E 8.09 4.24 0.00 2.10 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 2.32 2.28 0.00 138 V 7.73 4.05 2.25 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 0.81 0.00 0.00 1.03 0.00 0.00 139 Q 8.75 4.91 0.00 2.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 140 I 8.63 4.93 1.92 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 1.06 1.34 0.94 0.00 0.00 *142 D 8.39 4.58 0.00 2.98 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 0.00 143 V 8.27 3.75 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 0.89 0.00 0.00 1.05 0.00 0.00 144 K 8.12 3.97 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.55 7.81 145 E 8.33 3.86 0.00 2.10 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 2.34 2.56 0.00 146 Y 7.67 3.58 0.00 1.43 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 0.00 147 L 8.10 3.56 0.00 1.80 1.61 0.97 1.36 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 0.00 148 K 7.83 3.83 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 149 N 7.94 4.52 0.00 2.62 2.81 0.00 0.00 7.16 8.11 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 0.00 150 A 8.11 3.81 0.78 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 0.00 0.00 151 L 7.80 3.96 0.00 1.58 1.69 0.88 1.07 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 0.00 152 E 7.54 4.26 0.00 2.27 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 2.31 2.18 0.00 153 S 7.06 4.53 0.00 3.95 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 0.00 154 D 8.52 4.67 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.71 4.63 0.00 1.52 1.50 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.76 5.02 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 157 L 9.05 5.04 0.00 1.65 1.60 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.99 5.25 0.00 3.09 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 0.00 159 I 8.69 4.31 1.89 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 1.16 0.75 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.