NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5016 8.1633 120.6188 54.9882 34.3217 174.3621 2 K 4.2797 8.6090 126.1399 55.7650 33.5905 170.8275 3 V 4.8093 9.8723 126.1399 61.2954 35.8453 173.5811 4 I 4.4245 8.3229 128.7413 60.6135 38.3447 176.4738 5 L 4.6451 8.1573 128.2080 53.9330 43.1619 176.5659 6 L 4.1370 8.4479 124.9179 54.2994 47.7208 176.9045 7 E 3.9695 9.1750 135.0000 56.1779 28.7089 174.2874 8 P 4.3497 0.0000 0.0000 63.2803 31.2172 175.0969 9 L 4.8831 7.9128 117.3036 52.3372 45.5014 175.4994 10 E 4.1612 8.5675 120.7767 57.5098 30.0746 175.0080 11 N 4.7809 9.2496 129.8912 53.6581 38.7735 174.5105 12 L 4.6729 7.5551 122.0424 53.4935 40.5021 175.1722 13 G 3.8948 7.4254 116.0328 44.7392 0.0000 167.1940 14 D 4.2188 8.7126 126.1616 53.7083 38.1194 173.5347 15 V 3.7087 7.3146 123.1335 61.7056 32.2675 177.2910 16 G 4.0413 8.7979 110.8150 45.9752 0.0000 174.2208 17 Q 3.8797 8.0764 122.1469 56.5787 29.9581 176.1313 18 V 4.9031 8.7560 127.6584 61.0931 30.8874 175.1076 19 V 4.5089 8.0361 126.3037 59.7764 34.5808 174.1981 20 D 5.4822 8.5394 121.0541 52.0936 40.8973 175.7980 21 V 4.6975 8.7982 115.6886 58.6082 36.2079 175.4379 22 K 3.9695 8.7329 122.6289 56.3510 32.8257 175.1853 23 P 4.3718 0.0000 0.0000 66.0582 31.0566 178.6427 24 G 3.8284 8.2100 102.1125 48.2574 0.0000 174.2719 25 Y 4.6463 8.1447 121.5241 61.0688 38.6640 177.6161 26 A 3.9455 8.1364 121.5660 54.3336 18.4157 179.2382 27 R 3.8783 8.0398 117.6497 58.5303 30.5836 177.5046 28 N 4.9995 7.9270 111.9342 52.9268 40.7178 173.4920 29 Y 4.6368 7.9057 116.5516 59.1785 40.3137 176.8875 30 L 3.7266 6.9857 119.8158 56.3917 42.7849 179.0266 31 L 4.0312 7.9141 117.7848 57.8746 42.1328 178.1344 32 P 4.1332 0.0000 0.0000 65.9274 31.2329 177.7247 33 R 4.0800 7.8049 113.9049 55.3427 30.1082 177.3860 34 G 3.9415 7.3605 105.6065 47.1944 0.0000 173.6246 35 L 4.7071 8.0143 112.0104 53.4514 43.8813 177.6662 36 A 4.3637 7.2588 120.1198 52.4809 21.9512 175.6584 37 V 4.4321 7.9204 116.9191 61.1910 35.7632 173.8617 38 L 4.1879 8.6020 123.6761 54.6783 41.7073 178.7011 39 A 4.4859 8.0896 129.9242 51.6438 15.7225 176.4638 40 T 4.4701 7.4214 113.1930 59.6290 71.8706 176.3080 41 E 3.8275 8.8051 121.4454 59.6419 29.1233 179.3909 42 S 4.0918 7.8867 111.6619 61.6401 62.6021 175.3922 43 N 4.6385 7.9981 117.4136 54.8069 39.0297 177.1724 44 L 3.9372 8.5836 123.2009 58.0903 42.1054 179.2705 45 K 4.0232 8.8432 119.3621 59.4368 32.0026 177.8434 46 A 4.5435 7.4208 119.8025 52.2014 18.5568 178.4913 47 L 3.8330 7.9480 122.6730 58.2688 42.2232 178.8111 48 E 3.6798 7.9012 117.1568 58.9709 29.1026 178.5757 49 A 4.2973 7.1167 116.5662 53.2773 17.8457 177.7317 50 R 4.4427 8.2056 116.1102 57.1748 34.3908 176.8827 51 I 3.8351 8.0381 119.5861 64.2130 36.8031 178.2175 52 R 3.9228 8.1975 119.6427 59.7294 30.2890 177.7780 53 A 3.7478 8.4705 117.6514 56.7678 17.7904 178.4644 54 Q 3.9863 7.2978 122.0136 58.3140 30.1448 177.1895 55 A 3.8742 7.8101 121.8179 55.9320 18.0581 179.4972 56 K 3.9559 8.3881 114.3697 59.4535 33.0217 179.2674 57 R 4.1045 7.5960 116.7711 57.2854 30.2087 176.3918 58 L 4.2025 7.6955 118.4949 57.4408 42.7413 177.8983 59 A 4.0270 8.6943 120.5375 53.4064 17.9224 178.3866 60 E 4.0588 8.7290 118.8732 58.1725 29.8154 177.9757 61 R 4.4407 7.8996 114.6481 56.1809 31.3622 175.9445 62 K 4.5438 7.8587 114.9504 55.7888 33.7449 176.2372 63 A 4.5877 8.3444 120.3314 52.0582 20.8563 176.8428 64 E 4.4180 7.7114 112.9074 56.3858 30.4437 176.4373 65 A 4.4275 7.6993 120.8280 52.5292 20.1412 178.0350 66 E 4.1320 7.9989 114.1429 57.3831 30.0684 177.6861 67 R 4.5639 7.8319 116.6434 55.6474 30.4095 176.1259 68 L 4.5435 7.6381 120.6563 54.8898 44.2292 178.1651 69 K 4.0623 7.4651 119.2456 59.0989 32.1827 178.2488 70 E 4.0756 7.8020 117.3000 58.4690 29.6649 177.1164 71 I 4.3751 7.4793 109.9407 62.3301 39.5099 177.1122 72 L 4.2798 7.6954 120.7254 55.2988 41.6052 177.3847 73 E 4.4217 7.6092 119.1497 56.4999 29.7489 176.2492 74 N 4.7537 8.0417 112.6956 54.8974 41.5891 173.9029 75 L 4.1291 7.9866 118.0615 55.1022 40.9170 176.7827 76 T 4.5855 8.3305 114.7852 62.1212 68.6350 174.4628 77 L 4.3191 7.9567 122.2845 52.9959 40.2553 170.1045 78 T 3.6532 7.7744 122.1158 63.1215 69.1162 171.4523 79 I 4.5338 9.0191 127.6745 58.7086 40.2984 173.8325 80 P 4.4798 0.0000 0.0000 63.5939 29.3002 176.6769 81 V 3.3959 8.4085 128.4988 63.3673 30.1681 174.4922 82 R 3.6978 8.2404 124.3425 55.6163 30.5385 172.4929 83 A 3.4726 7.7119 126.1385 50.7849 22.0746 177.0771 84 G 3.8768 8.1799 110.7197 42.9548 0.0000 172.4703 85 E 4.0900 8.0643 128.8347 54.5953 28.9593 175.6362 86 T 4.7581 7.3846 106.0309 61.2890 70.5430 175.1485 87 K 3.9941 8.3558 121.0944 56.3787 33.2845 176.4795 88 I 3.7814 7.9339 126.1981 60.6398 38.7734 174.8789 89 Y 4.9248 7.1390 116.5066 57.2305 37.9690 176.1487 90 G 4.0191 7.4017 108.2990 45.7318 0.0000 173.3332 91 S 4.7583 8.2967 116.2625 58.8379 64.1790 175.3781 92 V 4.2870 7.6656 114.8804 59.2941 32.0765 174.0686 93 T 4.0519 7.6751 112.7426 62.8964 69.9926 172.9160 94 A 3.9271 8.3834 120.9626 55.5642 18.3094 179.6993 95 K 3.8783 8.0625 114.2188 58.8052 32.4105 177.6946 96 D 4.6754 7.6534 118.4843 56.8481 41.7656 177.8456 97 I 3.6231 8.0465 119.6750 64.1306 37.1219 177.9438 98 A 3.9967 8.6645 121.3086 55.7703 17.2370 179.4067 99 E 3.9137 8.2347 116.6626 59.1323 29.7647 178.0592 100 A 4.0865 8.2429 119.2073 53.1251 18.4984 178.6277 101 L 4.0418 8.0249 119.3383 57.2934 42.4237 178.2471 102 S 5.1870 8.6562 115.5891 59.4071 62.5445 175.5692 103 R 4.2572 7.2625 120.2837 58.0267 31.3826 178.0360 104 Q 3.9799 8.0905 119.1332 58.9464 28.6742 177.5337 105 H 4.7363 7.7204 113.5177 54.4163 31.8182 173.1337 106 G 4.1584 8.4613 105.4876 45.4981 0.0000 172.4158 107 V 4.4068 7.4658 116.6213 61.0089 34.8865 174.1894 108 T 4.6467 8.3050 120.4522 62.4060 68.8533 174.5604 109 I 4.6032 8.2148 127.1546 59.3352 39.9624 174.5907 110 D 4.6878 9.7994 126.5995 52.3988 41.6274 175.9013 111 P 4.6669 0.0000 0.0000 61.5289 30.0085 175.2042 112 K 4.4891 7.4089 119.9411 58.5282 40.0768 178.1775 113 R 3.9318 7.9298 116.6300 57.3706 30.1186 178.4930 114 L 3.2234 7.5472 118.2193 55.4971 41.7480 173.6408 115 A 3.6676 7.6799 123.4275 51.2606 15.3768 174.9600 116 L 4.3116 7.4749 117.5539 53.8360 46.8823 172.9045 117 E 4.0897 9.2364 126.8210 56.7142 28.4031 179.5423 118 K 3.9865 9.2341 117.7740 55.6609 33.1637 174.9457 119 P 4.5198 0.0000 0.0000 62.7434 30.5828 177.1221 120 I 3.2185 7.5220 122.1428 61.3602 37.1800 173.0234 121 K 4.7314 7.6854 119.6490 55.5970 33.9126 174.0439 122 E 5.0345 6.9430 118.7229 55.6722 32.4248 175.7949 123 L 4.0888 7.8986 125.3487 54.4753 42.3493 175.6588 124 G 3.7091 6.5546 105.3840 43.4979 0.0000 172.2247 125 E 4.4509 8.1239 119.7088 55.2288 30.6840 175.0211 126 Y 5.1659 8.6750 123.6551 56.2243 40.3074 176.0635 127 V 4.3872 8.5683 124.1686 62.4182 33.2071 175.2131 128 L 4.9601 7.9316 124.3417 55.5189 45.1913 175.2926 129 T 4.2582 7.4439 111.0663 62.7807 71.0598 173.9469 130 Y 4.8628 8.9032 131.1060 55.6417 41.2391 173.5420 131 K 4.9151 9.4475 118.7529 54.2757 36.3645 173.5385 132 P 4.8807 0.0000 0.0000 62.3834 34.7076 176.7562 133 H 3.9465 8.3248 113.2397 55.2521 30.1955 174.0269 134 P 4.3125 0.0000 0.0000 63.0124 31.4054 174.7909 135 E 4.9299 8.4352 119.5795 55.0146 33.2649 174.2567 136 V 4.6143 8.3347 117.4940 59.5006 34.8698 172.8588 137 P 5.1499 0.0000 0.0000 61.6852 32.2825 174.6940 138 I 4.4683 8.2862 125.9530 60.1072 39.3073 174.7701 139 Q 4.6968 8.5779 127.1490 55.0692 31.0595 173.9213 140 L 5.7860 9.2300 127.1878 52.3705 45.4369 175.3753 141 K 5.0430 8.5731 124.4717 54.3745 34.1572 176.1183 142 V 5.0229 7.9626 113.3669 59.2875 34.3669 174.5287 143 S 4.6962 8.2132 126.3787 57.8200 65.1690 171.1034 144 V 4.2098 7.9482 113.2522 61.0923 34.1472 174.2413 145 V 3.1740 8.2680 126.8138 62.9298 31.4915 172.3644 *146 A 4.1219 8.3327 122.2937 52.4056 18.7144 176.4580 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 M 8.16 4.50 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 2 K 8.61 4.28 0.00 1.81 1.73 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.45 7.81 3 V 9.87 4.81 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 1.04 0.00 0.00 1.00 0.00 0.00 4 I 8.32 4.42 1.86 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 1.22 0.73 0.90 0.00 0.00 5 L 8.16 4.65 0.00 1.71 1.64 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.45 4.14 0.00 1.62 0.67 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.17 3.97 0.00 1.88 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 2.30 2.41 0.00 8 P 0.00 4.35 0.00 2.19 2.14 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 9 L 7.91 4.88 0.00 2.01 1.66 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.57 4.16 0.00 1.95 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 0.00 2.30 2.25 0.00 11 N 9.25 4.78 0.00 2.90 2.99 0.00 0.00 6.98 7.78 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 12 L 7.56 4.67 0.00 1.88 1.83 1.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.43 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 14 D 8.71 4.22 0.00 3.01 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 15 V 7.31 3.71 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 0.97 0.00 0.00 0.92 0.00 0.00 16 G 8.80 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 0.00 0.00 0.00 17 Q 8.08 3.88 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 18 V 8.76 4.90 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 1.12 0.00 0.00 1.00 0.00 0.00 19 V 8.04 4.51 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 0.91 0.00 0.00 0.97 0.00 0.00 20 D 8.54 5.48 0.00 2.70 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 21 V 8.80 4.70 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.02 0.00 0.00 22 K 8.73 3.97 0.00 1.88 1.77 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 23 P 0.00 4.37 0.00 2.22 2.14 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 24 G 8.21 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 25 Y 8.14 4.65 0.00 3.00 3.15 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 26 A 8.14 3.95 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 27 R 8.04 3.88 0.00 1.86 2.06 0.00 3.11 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 28 N 7.93 5.00 0.00 2.85 2.88 0.00 0.00 6.69 7.32 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 29 Y 7.91 4.64 0.00 3.04 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 30 L 6.99 3.73 0.00 1.54 1.38 0.60 0.32 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 31 L 7.91 4.03 0.00 1.84 1.71 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.13 0.00 1.99 2.10 0.00 3.64 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 2.11 2.16 0.00 33 R 7.80 4.08 0.00 1.50 1.70 0.00 2.61 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 34 G 7.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.01 4.71 0.00 1.28 1.52 0.65 0.52 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 36 A 7.26 4.36 1.20 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 0.00 0.00 0.00 37 V 7.92 4.43 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 0.89 0.00 0.00 0.90 0.00 0.00 38 L 8.60 4.19 0.00 1.54 1.63 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.09 4.49 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 40 T 7.42 4.47 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 41 E 8.81 3.83 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 2.38 0.00 42 S 7.89 4.09 0.00 3.85 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 43 N 8.00 4.64 0.00 2.76 2.82 0.00 0.00 6.70 6.74 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 44 L 8.58 3.94 0.00 1.84 1.64 0.92 0.56 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 45 K 8.84 4.02 0.00 1.97 2.05 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.45 7.81 46 A 7.42 4.54 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.95 3.83 0.00 1.88 1.85 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.90 3.68 0.00 2.17 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 2.43 2.47 0.00 49 A 7.12 4.30 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.21 4.44 0.00 2.01 1.88 0.00 3.13 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 51 I 8.04 3.84 1.99 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 1.83 1.13 0.91 0.00 0.00 52 R 8.20 3.92 0.00 2.03 2.18 0.00 2.99 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 53 A 8.47 3.75 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 54 Q 7.30 3.99 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 55 A 7.81 3.87 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.39 3.96 0.00 2.03 2.07 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.44 7.81 57 R 7.60 4.10 0.00 1.94 2.01 0.00 3.24 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 58 L 7.70 4.20 0.00 1.89 1.87 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.69 4.03 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 60 E 8.73 4.06 0.00 2.12 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 2.30 2.32 0.00 61 R 7.90 4.44 0.00 1.82 2.11 0.00 3.26 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 62 K 7.86 4.54 0.00 1.64 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.27 7.81 63 A 8.34 4.59 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.71 4.42 0.00 2.36 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 2.28 2.77 0.00 65 A 7.70 4.43 1.30 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 0.00 0.00 0.00 66 E 8.00 4.13 0.00 2.00 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 2.36 0.00 67 R 7.83 4.56 0.00 1.75 1.89 0.00 3.38 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 68 L 7.64 4.54 0.00 1.56 1.67 0.81 -0.20 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 69 K 7.47 4.06 0.00 1.80 1.92 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.60 7.81 70 E 7.80 4.08 0.00 1.96 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 2.65 2.46 0.00 71 I 7.48 4.38 1.87 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 1.63 0.75 0.90 0.00 0.00 72 L 7.70 4.28 0.00 1.97 1.83 0.99 0.91 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 73 E 7.61 4.42 0.00 2.05 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 2.32 2.46 0.00 74 N 8.04 4.75 0.00 2.72 2.78 0.00 0.00 6.92 7.20 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 75 L 7.99 4.13 0.00 1.68 1.80 0.94 0.88 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 76 T 8.33 4.59 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 77 L 7.96 4.32 0.00 1.82 1.79 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.77 3.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 79 I 9.02 4.53 1.86 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 1.27 1.01 0.90 0.00 0.00 80 P 0.00 4.48 0.00 2.07 2.09 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 81 V 8.41 3.40 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 0.62 0.00 0.00 0.95 0.00 0.00 82 R 8.24 3.70 0.00 2.00 2.13 0.00 3.34 0.00 0.00 3.48 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.50 0.00 83 A 7.71 3.47 0.81 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 84 G 8.18 3.88 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 0.00 0.00 0.00 85 E 8.06 4.09 0.00 2.02 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 0.00 2.14 2.30 0.00 86 T 7.38 4.76 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 87 K 8.36 3.99 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.49 7.81 88 I 7.93 3.78 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.84 0.00 0.00 89 Y 7.14 4.92 0.00 3.06 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 90 G 7.40 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 91 S 8.30 4.76 0.00 4.16 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 92 V 7.67 4.29 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 0.72 0.00 0.00 0.95 0.00 0.00 93 T 7.68 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 94 A 8.38 3.93 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 95 K 8.06 3.88 0.00 1.73 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 96 D 7.65 4.68 0.00 2.90 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 97 I 8.05 3.62 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.91 0.00 0.00 98 A 8.66 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.23 3.91 0.00 2.04 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 0.00 2.38 2.33 0.00 100 A 8.24 4.09 1.37 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 0.00 0.00 0.00 101 L 8.02 4.04 0.00 1.85 1.86 0.95 1.20 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 0.00 102 S 8.66 5.19 0.00 3.87 3.88 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 0.00 103 R 7.26 4.26 0.00 2.14 1.93 0.00 3.19 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 104 Q 8.09 3.98 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 105 H 7.72 4.74 0.00 3.01 3.24 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.46 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 0.00 0.00 0.00 0.00 107 V 7.47 4.41 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 1.02 0.00 0.00 0.97 0.00 0.00 108 T 8.31 4.65 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 1.23 0.00 0.00 109 I 8.21 4.60 1.93 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 1.38 0.61 1.00 0.00 0.00 110 D 9.80 4.69 0.00 2.71 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 0.00 111 P 0.00 4.67 0.00 2.21 2.10 0.00 3.88 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 1.99 1.99 0.00 112 K 7.41 4.49 0.00 2.01 1.79 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.40 7.81 113 R 7.93 3.93 0.00 1.94 2.16 0.00 3.34 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 114 L 7.55 3.22 0.00 1.53 1.50 0.81 0.35 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 0.00 115 A 7.68 3.67 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 0.00 116 L 7.47 4.31 0.00 1.46 1.44 0.80 0.96 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 0.00 117 E 9.24 4.09 0.00 2.08 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 2.22 2.24 0.00 118 K 9.23 3.99 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.37 7.81 119 P 0.00 4.52 0.00 2.21 2.11 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 120 I 7.52 3.22 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.40 1.14 0.00 0.00 121 K 7.69 4.73 0.00 1.68 1.73 0.00 1.95 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.29 7.81 122 E 6.94 5.03 0.00 2.01 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 2.10 2.09 0.00 123 L 7.90 4.09 0.00 1.61 1.58 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.55 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 0.00 125 E 8.12 4.45 0.00 1.86 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 2.25 2.23 0.00 126 Y 8.68 5.17 0.00 2.88 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 0.00 127 V 8.57 4.39 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 0.81 0.00 0.00 0.97 0.00 0.00 128 L 7.93 4.96 0.00 1.71 1.50 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.44 4.26 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 1.23 0.00 0.00 130 Y 8.90 4.86 0.00 3.21 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 0.00 131 K 9.45 4.92 0.00 1.76 1.71 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.37 7.81 132 P 0.00 4.88 0.00 2.02 2.00 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.79 0.00 133 H 8.32 3.95 0.00 3.31 3.19 0.00 5.74 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.31 0.00 2.11 2.08 0.00 3.63 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 2.02 2.11 0.00 135 E 8.44 4.93 0.00 1.95 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 2.40 2.63 0.00 136 V 8.33 4.61 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 0.99 0.00 0.00 1.02 0.00 0.00 137 P 0.00 5.15 0.00 2.12 2.14 0.00 4.04 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 1.94 2.00 0.00 138 I 8.29 4.47 1.93 0.00 0.00 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 1.48 0.74 1.06 0.00 0.00 139 Q 8.58 4.70 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 140 L 9.23 5.79 0.00 1.74 1.60 0.98 0.96 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 0.00 141 K 8.57 5.04 0.00 1.71 1.70 0.00 1.92 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.27 7.81 142 V 7.96 5.02 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 0.62 0.00 0.00 0.75 0.00 0.00 143 S 8.21 4.70 0.00 3.87 3.69 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 0.00 144 V 7.95 4.21 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 0.90 0.00 0.00 145 V 8.27 3.17 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 0.73 0.00 0.00 0.93 0.00 0.00 *146 A 8.33 4.12 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.