NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5687 8.3149 120.0858 56.3784 33.6682 174.6772 6 I 4.5080 9.2027 124.8936 58.6117 41.5686 168.9965 7 V 4.8869 9.1007 125.5957 61.3165 34.1770 173.8835 8 L 5.0594 8.6142 127.3206 53.0201 44.4386 175.6769 9 K 4.6041 8.7339 124.9493 55.1052 33.4954 177.0329 10 S 4.5605 8.4620 119.8462 57.3659 64.2401 174.2709 11 S 4.7525 8.6033 113.7314 58.4735 61.5043 174.0825 12 D 4.5587 7.9269 117.8810 52.3004 39.0981 174.8130 13 G 3.8699 8.4068 110.3101 47.9192 0.0000 173.5017 14 E 4.8824 8.0554 121.5476 54.6156 32.3813 174.4562 15 S 4.4157 8.4937 118.2810 59.1554 64.4508 173.7889 16 F 4.5871 8.7586 121.2715 55.5799 42.3483 173.8670 17 E 4.4875 8.9745 126.0456 55.8641 29.7961 175.9473 18 V 4.6955 8.6637 119.9928 59.3047 36.3538 175.7392 19 E 4.3610 8.6632 122.0447 55.7816 30.0379 176.6180 20 E 3.8270 8.3905 118.8778 60.4647 29.1408 178.6695 21 A 4.1674 7.7179 122.4516 54.3955 18.5069 179.3396 22 V 3.6646 7.6847 116.8292 65.9196 31.9726 177.6386 23 A 4.1755 7.8746 119.4320 54.0478 18.0784 178.6129 24 L 4.3291 7.2685 114.6482 55.7095 42.0107 177.7976 25 E 3.9490 7.6693 118.0598 58.9203 29.7842 177.0685 26 S 4.3894 7.6933 113.3085 57.2148 62.0860 174.4871 27 Q 4.2478 8.6043 127.2996 57.9337 28.5045 178.6969 28 T 4.0219 7.7893 115.4873 65.9735 68.9112 176.6200 29 I 3.9596 7.4730 119.9943 62.9497 38.1136 177.2388 30 A 4.0509 8.2858 124.0583 55.7755 18.2381 179.2169 31 H 4.3734 7.9074 107.8008 56.9032 28.2183 175.7574 32 M 4.8085 7.9036 117.4406 55.4277 32.9084 176.4273 33 V 4.3187 7.8912 109.0596 61.7574 31.3852 176.5433 34 E 4.2859 7.4081 119.7528 58.4067 30.3891 177.4418 35 D 4.6515 7.8168 118.8386 54.0549 39.2738 174.9376 36 D 5.0117 7.7736 121.6305 54.8349 38.6946 176.6667 37 C 4.5100 8.7187 122.7880 60.8798 28.4132 175.9530 38 V 3.7416 7.4432 120.1124 65.0440 31.4076 177.5056 39 D 4.3910 8.2993 118.8510 57.6583 40.6077 177.4056 40 N 4.8050 7.8573 113.5230 52.5314 38.9058 172.8054 41 G 4.0222 8.1647 111.8306 44.5392 0.0000 174.6657 42 V 3.8251 8.1039 122.0275 60.9802 32.3560 173.3851 43 P 4.9142 0.0000 0.0000 61.9460 32.2512 176.0696 44 L 4.8010 8.9034 125.3097 53.0100 42.0029 174.1570 45 P 4.9989 0.0000 0.0000 63.3786 31.5855 176.6584 46 N 4.6242 8.1852 113.1455 53.2034 39.4162 174.1588 47 V 4.2433 7.2308 119.5513 60.6766 33.1480 174.8280 48 T 4.1683 8.4909 121.2446 62.8723 68.9006 174.3247 49 S 4.1231 8.8195 121.0757 61.3226 62.3459 176.0536 50 K 3.9006 8.2549 121.9505 59.7971 31.6273 178.5807 51 I 3.8021 7.5314 119.1681 64.3713 37.3026 177.6144 52 L 3.7764 8.0717 121.1378 58.2210 41.6525 178.7970 53 A 3.9914 7.8728 120.3848 55.4307 18.1208 179.8747 54 K 4.1982 7.7385 115.3281 59.4752 32.0604 179.9504 55 V 3.7608 8.1020 119.0244 66.1394 31.5193 178.1885 56 I 3.7528 7.9988 119.7417 64.2569 36.8289 177.8210 57 E 4.0245 8.3291 120.2580 59.5323 29.4589 178.4419 58 Y 3.9020 7.8105 118.9786 60.9569 38.9337 177.5968 59 C 3.9600 8.1533 117.6418 62.5778 28.0854 175.5638 60 K 3.6961 8.5091 121.4574 60.0815 31.4415 178.5729 61 R 3.5004 7.2754 117.1478 59.5274 29.9314 177.9776 62 H 4.0328 7.5404 115.2367 58.4585 28.8758 177.5716 63 V 3.6907 7.8035 120.2011 65.4952 31.4312 177.1048 64 E 4.3043 7.7321 118.7360 56.7563 28.6333 176.9681 65 A 4.6620 7.8416 118.1553 51.9722 19.6365 178.7118 66 A 4.0910 7.9868 121.7873 56.5968 19.5422 181.0044 67 A 4.3980 7.3568 119.5183 51.6633 17.6383 179.1659 *80 D 4.6505 8.6919 113.7748 55.9910 43.0315 177.3237 81 D 4.3130 8.1126 118.3319 57.1966 41.4847 176.9639 82 D 4.7341 7.9749 116.1846 54.8467 41.7726 178.1742 83 L 4.0584 7.8126 120.5579 57.7367 41.9580 179.1343 84 K 4.1906 8.2377 117.4285 59.4367 31.8651 178.7473 85 A 4.0421 7.5734 118.7309 54.8701 18.3623 179.2912 86 W 4.1809 8.3197 125.6857 60.5980 30.7060 177.8427 87 D 4.5026 9.1199 118.8930 57.6014 40.1624 178.4457 88 A 4.0156 7.9170 119.8724 55.6689 18.4388 178.9731 89 D 4.3257 8.1085 115.9403 56.9771 41.0537 178.0737 90 F 3.9942 8.0777 120.7678 60.4433 39.3767 176.0592 91 M 4.0997 7.3641 116.2771 55.0090 33.5675 177.3071 92 K 4.2740 7.1638 118.9270 56.2151 29.6600 175.0093 93 I 4.5315 6.8285 113.3184 57.8159 41.4977 176.0998 94 D 4.4931 8.0379 120.1574 52.8329 41.4100 176.6564 95 Q 3.3716 8.3834 118.6523 59.2343 28.7073 179.0546 96 A 3.8106 7.7215 120.5781 55.8925 18.3798 179.7776 97 T 3.7588 7.6738 113.2949 66.4248 68.6043 176.3803 98 L 3.8255 7.5896 122.3542 58.3289 41.9923 179.1201 99 F 4.5200 7.8432 117.4484 60.9216 38.7952 177.5364 100 E 4.0455 8.1659 117.4184 59.2034 29.1287 179.6192 101 L 4.0406 7.7344 118.8376 57.6156 41.7734 179.1087 102 I 3.7643 7.5094 120.6206 63.9547 37.1220 178.1181 103 L 3.9533 8.1352 119.3749 58.1821 41.4042 179.8174 104 A 4.0828 7.8451 120.0262 55.1938 18.5256 179.6021 105 A 3.9454 8.5369 119.7765 55.2587 18.1759 179.3824 106 N 4.3632 8.2172 115.0243 56.6878 39.0675 176.3553 107 Y 4.3840 7.8248 120.5777 62.2564 39.4487 175.7832 108 L 4.2007 8.1074 120.1765 53.7232 43.8857 176.0397 109 N 4.9676 7.9720 112.4334 52.4066 38.9970 177.3454 110 I 4.2716 7.8388 121.0619 59.5018 37.8246 176.0782 111 K 3.9983 8.3702 126.8040 59.3285 31.4048 177.9969 112 N 4.3719 8.2898 116.6851 55.3212 37.0951 176.4406 113 L 3.9224 7.6814 122.0437 56.9874 42.7101 177.9666 114 L 3.9171 8.2576 120.6491 58.3062 41.9625 178.4730 115 D 4.5439 8.1972 116.6026 55.9672 41.0559 177.2309 116 L 4.5242 7.1508 117.7953 56.7612 43.1682 178.2246 117 T 3.8339 8.2960 109.9122 65.1178 68.8566 176.1744 118 C 4.1153 8.0754 120.4010 62.4366 28.3107 176.1186 119 Q 4.2808 7.5722 118.2799 59.2662 28.2820 178.5298 120 T 3.9689 7.6845 116.4688 66.3638 68.8007 176.7061 121 V 3.8862 7.8258 119.5273 66.0545 31.6829 177.6105 122 A 4.0637 8.5714 120.9068 55.5576 17.9394 179.3810 123 D 4.3564 7.8745 116.0604 57.5322 40.8884 178.5626 124 M 4.2579 7.8681 118.9048 58.0019 32.2000 178.6006 125 I 4.2759 7.6933 119.6131 63.3044 37.6314 174.7346 126 K 4.1149 7.7796 124.1520 60.5337 31.5517 175.5076 127 G 3.9420 8.7945 113.6510 45.7661 0.0000 173.2115 128 K 4.4474 8.3809 119.5299 56.1699 33.1003 176.6795 129 T 4.5708 7.9425 110.7617 59.7093 72.3479 173.6579 130 P 4.3699 0.0000 0.0000 65.8022 31.1266 178.5695 131 E 3.9187 8.1275 117.4926 59.4382 29.8248 178.1870 132 E 3.9344 7.9106 118.3197 60.2331 29.3109 179.3311 133 I 3.9039 8.2156 119.4993 64.3603 37.5073 178.1949 134 R 4.2467 8.3049 115.9772 58.7485 29.4717 178.6109 135 T 3.9986 8.3245 118.4039 66.7942 68.2268 176.3146 136 T 4.3783 7.7724 109.6063 61.9062 69.3859 175.3274 137 F 4.6905 8.3011 116.4764 57.4204 44.0869 173.8271 138 N 4.2064 8.1567 117.8561 54.2368 36.3671 171.9576 139 I 4.5395 8.4631 119.0629 58.5982 40.4068 175.8252 140 K 4.0429 8.5685 125.1081 56.0673 33.1408 176.1741 141 N 4.3433 8.7518 122.7868 53.7901 38.1580 173.2672 142 D 4.7726 8.1225 125.0146 52.9281 39.8879 176.2434 143 F 4.8002 8.5101 120.2001 57.5089 39.4306 176.4843 144 T 4.0856 8.6838 117.0764 61.3802 70.5314 173.6869 145 P 4.2952 0.0000 0.0000 65.5449 31.3122 179.0508 146 E 3.9200 8.0964 117.3458 59.3849 29.4421 178.6041 147 E 3.8719 7.9164 118.6343 59.4650 29.5977 178.7137 148 E 3.2105 8.0826 118.9451 59.3470 29.5213 178.8806 149 E 3.6870 7.9340 118.7595 59.1090 29.7844 178.0964 150 E 3.7668 8.2899 119.7830 59.3665 29.6033 178.9011 151 V 3.4496 7.8523 118.3706 65.9551 31.5498 177.8426 152 R 3.6881 8.0799 118.6416 59.3664 29.7947 178.4930 153 R 2.8498 8.1228 117.9744 59.0033 30.0286 178.5146 154 E 3.7277 8.3197 118.4292 59.8586 29.3427 179.2991 155 N 4.3484 8.1899 114.9280 55.8977 38.6927 176.4705 156 Q 4.5093 7.6104 116.3555 55.7034 30.2130 176.8757 157 W 4.8584 8.2616 118.9462 57.0512 30.4444 175.7538 158 A 4.2643 7.7308 117.4733 53.0004 20.2976 176.3699 159 F 4.8928 7.5087 119.1959 59.6178 39.2437 176.0053 160 E 4.5458 9.1894 125.6890 56.2973 29.9751 175.5921 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 K 8.31 4.57 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.20 4.51 1.89 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 1.12 1.18 0.92 0.00 0.00 7 V 9.10 4.89 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.61 5.06 0.00 1.70 1.57 0.91 0.54 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 K 8.73 4.60 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.46 4.56 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.60 4.75 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 12 D 7.93 4.56 0.00 2.79 2.68 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 13 G 8.41 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 0.00 0.00 0.00 14 E 8.06 4.88 0.00 2.02 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 2.31 2.49 0.00 15 S 8.49 4.42 0.00 3.73 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 16 F 8.76 4.59 0.00 3.13 2.93 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 17 E 8.97 4.49 0.00 1.97 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 2.29 2.42 0.00 18 V 8.66 4.70 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 0.87 0.00 0.00 1.05 0.00 0.00 19 E 8.66 4.36 0.00 2.07 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 2.39 2.36 0.00 20 E 8.39 3.83 0.00 2.07 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 2.37 2.45 0.00 21 A 7.72 4.17 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 22 V 7.68 3.66 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.87 4.18 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 24 L 7.27 4.33 0.00 1.84 1.71 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.67 3.95 0.00 2.01 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 2.33 2.38 0.00 26 S 7.69 4.39 0.00 3.91 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 27 Q 8.60 4.25 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.79 4.02 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 1.05 0.00 0.00 29 I 7.47 3.96 2.04 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 1.28 0.43 0.89 0.00 0.00 30 A 8.29 4.05 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 31 H 7.91 4.37 0.00 3.23 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.90 4.81 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 33 V 7.89 4.32 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 0.79 0.00 0.00 0.98 0.00 0.00 34 E 7.41 4.29 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 35 D 7.82 4.65 0.00 2.90 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 36 D 7.77 5.01 0.00 2.92 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 37 C 8.72 4.51 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.44 3.74 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 1.05 0.00 0.00 0.93 0.00 0.00 39 D 8.30 4.39 0.00 2.69 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 40 N 7.86 4.80 0.00 2.66 2.82 0.00 0.00 7.10 8.67 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 41 G 8.16 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 42 V 8.10 3.83 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 0.78 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.91 0.00 2.12 2.14 0.00 3.46 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 1.99 2.10 0.00 44 L 8.90 4.80 0.00 2.01 1.84 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 5.00 0.00 2.20 2.20 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 46 N 8.19 4.62 0.00 1.44 2.05 0.00 0.00 6.84 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.23 4.24 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 1.01 0.00 0.00 1.19 0.00 0.00 48 T 8.49 4.17 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 1.28 0.00 0.00 49 S 8.82 4.12 0.00 4.34 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 50 K 8.25 3.90 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.59 7.81 51 I 7.53 3.80 2.03 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 1.53 0.79 0.93 0.00 0.00 52 L 8.07 3.78 0.00 1.61 1.57 0.73 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.87 3.99 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 0.00 0.00 0.00 0.00 0.00 54 K 7.74 4.20 0.00 2.09 2.07 0.00 1.60 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.51 7.81 55 V 8.10 3.76 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 1.09 0.00 0.00 1.01 0.00 0.00 56 I 8.00 3.75 1.92 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.96 0.00 0.00 57 E 8.33 4.02 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 58 Y 7.81 3.90 0.00 2.68 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 59 C 8.15 3.96 0.00 3.05 2.95 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 60 K 8.51 3.70 0.00 1.94 1.91 0.00 1.56 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 61 R 7.28 3.50 0.00 0.86 1.26 0.00 2.74 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 62 H 7.54 4.03 0.00 2.83 3.14 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.80 3.69 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 1.07 0.00 0.00 0.93 0.00 0.00 64 E 7.73 4.30 0.00 1.94 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 2.25 2.28 0.00 65 A 7.84 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.99 4.09 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 67 A 7.36 4.40 1.11 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 *80 D 8.69 4.65 0.00 2.75 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 81 D 8.11 4.31 0.00 2.76 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 82 D 7.97 4.73 0.00 2.74 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 83 L 7.81 4.06 0.00 1.82 1.71 0.72 0.59 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 K 8.24 4.19 0.00 1.84 1.94 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.57 4.04 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 86 W 8.32 4.18 0.00 3.48 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 87 D 9.12 4.50 0.00 3.07 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 88 A 7.92 4.02 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 89 D 8.11 4.33 0.00 2.88 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 90 F 8.08 3.99 0.00 1.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.36 4.10 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 92 K 7.16 4.27 0.00 1.68 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 93 I 6.83 4.53 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 0.67 0.00 0.00 94 D 8.04 4.49 0.00 2.76 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 95 Q 8.38 3.37 0.00 1.82 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 96 A 7.72 3.81 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 97 T 7.67 3.76 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 98 L 7.59 3.83 0.00 1.62 1.48 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.84 4.52 0.00 3.08 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 0.00 100 E 8.17 4.05 0.00 2.17 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 2.50 2.51 0.00 101 L 7.73 4.04 0.00 1.97 1.70 0.79 0.77 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 I 7.51 3.76 2.09 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 1.64 1.76 0.92 0.00 0.00 103 L 8.14 3.95 0.00 1.86 1.75 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.85 4.08 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 0.00 105 A 8.54 3.95 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 0.00 106 N 8.22 4.36 0.00 2.85 3.03 0.00 0.00 7.18 7.16 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 0.00 107 Y 7.82 4.38 0.00 3.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.11 4.20 0.00 1.65 1.54 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.97 4.97 0.00 2.54 2.73 0.00 0.00 7.04 8.68 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 0.00 110 I 7.84 4.27 1.91 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 1.44 0.48 1.03 0.00 0.00 111 K 8.37 4.00 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.61 7.81 112 N 8.29 4.37 0.00 3.09 3.14 0.00 0.00 5.82 6.67 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 0.00 113 L 7.68 3.92 0.00 1.65 1.77 0.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.26 3.92 0.00 1.92 1.65 0.94 1.28 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 0.00 115 D 8.20 4.54 0.00 2.80 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 0.00 116 L 7.15 4.52 0.00 1.88 1.73 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.30 3.83 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 1.20 0.00 0.00 118 C 8.08 4.12 0.00 3.12 3.04 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 0.00 119 Q 7.57 4.28 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 7.68 3.97 4.49 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 1.22 0.00 0.00 121 V 7.83 3.89 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 1.24 0.00 0.00 1.26 0.00 0.00 122 A 8.57 4.06 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 0.00 123 D 7.87 4.36 0.00 2.90 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 0.00 124 M 7.87 4.26 0.00 2.04 2.49 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 125 I 7.69 4.28 2.01 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 1.91 0.90 0.96 0.00 0.00 126 K 7.78 4.11 0.00 1.76 1.88 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.46 7.81 127 G 8.79 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 0.00 128 K 8.38 4.45 0.00 1.76 1.80 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.30 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.70 7.81 129 T 7.94 4.57 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 0.00 130 P 0.00 4.37 0.00 2.21 2.21 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 131 E 8.13 3.92 0.00 2.10 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 2.39 2.48 0.00 132 E 7.91 3.93 0.00 2.32 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 0.00 2.35 2.40 0.00 133 I 8.22 3.90 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.79 1.04 0.00 0.00 134 R 8.30 4.25 0.00 2.36 2.22 0.00 2.95 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 135 T 8.32 4.00 4.43 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 1.21 0.00 0.00 136 T 7.77 4.38 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 1.21 0.00 0.00 137 F 8.30 4.69 0.00 3.20 3.04 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 0.00 138 N 8.16 4.21 0.00 2.82 2.85 0.00 0.00 6.82 7.94 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 0.00 139 I 8.46 4.54 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.86 0.00 0.00 140 K 8.57 4.04 0.00 1.84 1.81 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.75 4.34 0.00 2.74 2.84 0.00 0.00 7.12 8.47 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 0.00 142 D 8.12 4.77 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 0.00 143 F 8.51 4.80 0.00 3.27 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 0.00 144 T 8.68 4.09 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 1.37 0.00 0.00 145 P 0.00 4.30 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.10 3.92 0.00 2.05 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 2.40 2.45 0.00 147 E 7.92 3.87 0.00 2.21 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 2.39 2.38 0.00 148 E 8.08 3.21 0.00 1.87 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 2.16 2.05 0.00 149 E 7.93 3.69 0.00 2.23 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 2.14 2.21 0.00 150 E 8.29 3.77 0.00 2.13 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 2.27 2.31 0.00 151 V 7.85 3.45 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 0.87 0.00 0.00 0.79 0.00 0.00 152 R 8.08 3.69 0.00 1.79 1.82 0.00 3.01 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 153 R 8.12 2.85 0.00 1.82 1.61 0.00 2.68 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 154 E 8.32 3.73 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 155 N 8.19 4.35 0.00 2.81 2.86 0.00 0.00 7.02 7.25 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 0.00 156 Q 7.61 4.51 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 157 W 8.26 4.86 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.73 4.26 0.40 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 0.00 159 F 7.51 4.89 0.00 3.11 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 0.00 160 E 9.19 4.55 0.00 2.07 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 0.00 2.14 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.