NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.1345 8.4045 120.3463 56.5462 34.0693 177.8532 7 E 3.1937 7.2341 110.7562 54.4842 29.6551 173.7452 8 V 4.6865 7.8822 121.0064 60.7294 34.8782 174.5813 9 I 4.1831 7.6533 113.7296 61.6581 37.7654 169.5520 10 E 4.2852 8.9205 130.4468 55.7344 29.9972 176.6582 11 L 4.5813 8.8805 131.5112 53.4827 41.2095 177.3698 12 N 4.8316 9.7467 115.8439 52.4785 37.2601 173.7436 13 K 4.6705 8.0948 117.3277 55.7969 35.8804 175.5487 14 C 4.8938 8.5155 122.3723 58.3290 32.4366 175.7976 15 T 3.9533 8.7465 115.4966 64.7660 67.6910 176.4418 16 S 4.8832 7.4950 115.7101 56.8894 63.4139 176.2030 17 G 4.0318 7.0335 110.0607 49.0755 0.0000 173.0177 18 Q 4.5491 8.0292 121.5441 56.7206 31.6706 174.4061 19 S 4.6937 7.7934 118.8637 56.5898 67.5310 175.2394 20 F 4.9318 6.6044 118.2102 56.4264 41.5430 176.8213 21 E 5.0480 9.3404 124.4147 56.5263 31.5310 176.0563 22 V 4.3676 8.7540 127.4722 59.8743 31.4187 172.2498 23 I 4.2507 8.1130 124.3732 58.3155 36.4462 172.3748 24 L 4.5529 8.6991 128.6584 55.8630 43.5732 177.4549 25 K 4.5662 7.4972 117.0056 52.5827 35.4106 175.5413 26 P 4.6739 0.0000 0.0000 60.4956 32.3606 175.1615 27 P 4.2032 0.0000 0.0000 67.1606 31.8920 177.0493 28 S 4.8238 8.1369 115.1048 59.3330 60.1668 169.8002 *29 F 4.9505 7.3802 120.4943 56.2149 41.8333 177.6130 30 D 4.4934 8.7537 117.5679 52.2825 40.9369 176.7176 31 G 3.9509 8.5939 114.8186 46.7209 0.0000 173.5745 32 V 4.5785 7.2238 114.2350 61.1334 40.2295 175.7303 33 P 3.8966 0.0000 0.0000 63.2980 30.7431 178.8499 34 E 4.2494 8.0847 118.9464 57.3582 27.3408 179.6164 35 F 4.7798 7.0799 121.4910 57.1436 39.3406 175.7920 36 N 4.2367 8.8827 121.3580 52.7992 35.4562 173.0996 37 A 4.3684 7.8524 122.2987 53.0119 17.4252 179.6938 38 S 4.5128 7.7279 120.5760 57.4111 63.9974 177.1440 39 L 4.1619 8.6455 126.0070 55.8776 40.8276 173.4142 40 P 4.6286 0.0000 0.0000 61.3306 29.9753 174.8633 41 R 4.6120 8.0365 121.8462 54.2497 32.7516 175.5867 42 R 3.9554 8.4682 121.7422 54.6841 29.8437 172.1317 *45 P 4.1496 0.0000 0.0000 61.7761 31.3109 175.9601 46 S 4.6925 8.2788 122.1715 57.2135 65.5619 174.2134 47 L 4.6393 8.1149 122.1602 53.4178 43.4027 173.6028 48 E 4.0219 9.2291 123.6534 58.5927 30.0741 176.2843 49 E 4.0350 8.4759 115.6110 60.0508 30.0916 183.0610 50 I 4.4669 7.5864 117.3953 59.7337 35.1614 179.0158 51 Q 4.1785 8.0060 127.9642 59.5750 29.5540 177.9159 52 K 4.3003 8.2519 118.0291 55.8541 31.2512 181.4040 53 K 4.4987 7.7509 123.9399 58.6231 33.1686 182.0876 54 L 4.3581 8.1150 119.4771 58.0700 41.8633 178.7917 55 E 3.9656 8.0653 118.2028 59.2451 29.5564 178.5041 56 A 4.1154 7.9498 117.3433 53.7855 18.5141 178.1492 57 A 4.3248 7.7501 119.3174 53.9880 19.8491 178.7390 58 E 4.1234 7.8369 118.8717 58.9046 29.3069 178.6497 59 E 4.2586 8.5595 117.9236 59.9979 29.8545 184.1868 60 R 4.4098 7.6211 117.0736 59.9582 30.4396 178.2505 61 R 3.9401 8.2350 120.5249 59.7813 29.9090 178.9122 62 K 4.0001 7.9880 123.5321 59.1025 32.1829 180.1255 63 Y 4.6594 8.7180 118.1740 59.3003 38.2043 179.5182 64 Q 3.2672 5.7818 121.9761 59.3687 31.0500 177.1341 65 E 3.9343 8.2294 118.9094 61.5812 29.4115 180.6007 66 A 4.3936 8.6549 121.1086 53.3661 19.5693 176.7106 67 E 4.7522 8.1969 118.9447 53.9296 29.3674 176.6834 68 L 5.7748 6.9199 129.3325 55.0092 43.7686 175.6290 69 L 4.6100 7.2257 121.0483 56.1981 43.8079 178.6300 70 K 3.9264 7.9418 122.7152 60.4349 32.2354 180.6877 *71 H 4.5072 7.9565 112.6464 53.2734 27.3594 176.7027 72 L 4.6396 7.7032 121.8322 56.0681 48.5600 176.6172 73 A 4.3240 8.0640 119.3000 53.6349 17.9848 178.9981 74 E 3.8435 7.9463 118.5017 59.3166 29.7725 178.0156 75 K 3.8727 8.4429 121.4037 60.3670 31.8997 179.5852 76 R 4.4690 8.1893 122.0224 61.4949 29.4087 180.3910 77 E 4.6968 7.7288 117.1659 56.6851 31.1954 177.2403 78 H 4.6642 8.8973 121.2410 57.9793 30.8741 175.2808 79 E 4.0096 8.4128 122.3843 60.5952 29.1519 180.1552 80 R 3.9953 7.4954 118.5897 60.9903 29.6721 179.3685 81 E 4.6167 8.7035 118.7069 57.8406 29.6209 178.9599 82 V 3.6314 7.8878 122.3949 67.2044 31.8326 184.5619 83 I 3.7785 7.7477 120.5315 64.6945 35.1634 179.7484 84 Q 4.3079 7.7750 121.5133 59.7513 28.7461 177.9506 85 K 4.2590 7.8350 122.1701 57.0149 31.6253 180.2446 86 A 4.6497 7.8137 125.6910 54.3285 21.3175 179.9023 87 I 3.9223 7.7444 119.4598 65.5341 35.1352 181.8096 88 E 4.3896 8.1297 120.0176 61.7536 29.8500 183.2859 89 E 4.3247 7.9628 119.1001 61.8157 29.8893 180.4336 90 N 4.6827 8.7375 119.6416 56.8089 38.5343 177.5392 91 N 4.3030 8.2773 120.6587 57.1088 38.0054 177.5502 92 N 5.0485 7.6614 115.8684 53.8776 39.4837 174.9704 93 F 4.9409 8.9277 120.0358 57.8214 41.8334 176.5616 94 I 3.3020 7.9348 123.7242 64.9477 36.7188 178.6324 95 K 4.0289 7.5334 121.9819 59.1794 31.7291 178.9929 96 M 4.5480 7.7002 115.1336 58.1439 33.3218 176.4780 97 A 4.3446 8.0729 122.6385 53.6964 18.9936 179.5951 98 K 4.0465 8.0009 123.1154 59.0455 32.1385 183.5191 99 E 4.5072 7.9893 121.6708 58.7673 29.7956 178.1521 100 K 4.3738 8.3512 121.1652 57.6859 31.5052 181.1128 101 L 4.3203 7.7245 120.8429 58.9306 42.4587 178.2834 102 A 4.1987 7.9213 122.5195 55.1345 18.3652 180.0631 103 Q 3.9964 7.8846 119.7800 59.9960 28.0748 183.3631 104 K 4.4248 7.6700 118.4711 58.1933 32.6136 177.5721 105 M 4.4226 7.7928 117.1858 56.0511 32.8203 176.7614 106 E 4.3098 7.9485 119.1808 57.9147 29.9987 177.2213 107 S 4.3884 7.7799 112.7231 59.6771 63.0051 174.7199 108 N 4.4889 7.7577 119.0592 55.3673 39.9233 176.3463 109 K 4.0817 7.7267 121.7879 59.7518 31.9433 179.3383 110 E 4.0306 8.0439 118.4760 61.0589 29.7832 182.6854 111 N 4.4851 7.7311 117.7895 56.0297 38.3946 177.7638 112 R 4.0351 7.7771 116.2186 58.8267 29.6481 178.0769 113 E 3.9966 8.0888 119.8904 59.0998 29.3488 177.3226 114 A 4.4515 7.6334 123.0546 54.5354 19.1204 178.8602 *115 H 4.1014 8.1668 117.2956 58.9041 28.6442 178.1103 116 L 4.5642 8.2716 120.8976 57.8122 42.2521 176.9126 117 A 4.3166 8.0288 115.4159 53.0396 18.2486 178.1539 118 A 4.3370 7.6565 118.9411 52.5014 20.6800 178.3553 119 M 4.0948 7.7444 116.7439 58.6172 32.3585 177.8202 120 L 4.0990 8.8234 122.6709 58.5789 41.9644 179.2596 121 E 4.1337 7.6090 118.2130 61.2018 29.6229 182.6998 122 R 4.1128 8.1874 121.4095 59.6914 29.9661 181.2204 123 L 4.5713 7.4281 115.6383 54.5204 40.3080 180.0744 124 Q 4.5473 9.0610 119.8972 56.1141 31.0510 176.5324 125 E 4.6632 7.5243 115.6198 55.5267 30.3181 176.4635 126 K 4.0868 8.0270 119.1908 59.5387 32.7459 177.7160 127 D 4.5441 8.1276 120.1942 56.3932 41.8825 178.1941 128 K 4.6880 7.7122 118.8715 55.0894 31.7536 179.8907 129 H 4.7342 8.2417 119.6155 58.2942 32.3097 175.3322 130 A 3.8830 8.1266 124.3440 55.9145 18.5227 179.8271 131 E 3.9559 8.2695 112.8143 58.0112 30.2595 179.9638 132 E 4.6482 8.0745 110.6182 56.6332 30.4315 181.6242 133 V 4.4885 7.6622 117.6299 63.4883 32.1774 176.1369 134 R 4.4222 7.7045 118.5071 56.7620 31.0911 177.7839 135 K 4.2117 7.6281 117.0605 54.7185 31.3546 181.0064 136 N 4.8833 7.9262 118.0331 54.7613 40.0665 176.2277 137 K 4.0896 8.1479 122.4686 59.0786 31.8818 184.5656 138 E 4.1545 8.1820 110.3717 56.9763 28.9917 179.4535 139 L 4.3068 7.4767 122.7597 58.4132 42.4111 178.4404 140 K 3.8846 7.5978 123.7694 53.4095 32.4642 179.5699 141 E 4.2268 7.9422 119.9064 56.3379 29.4684 177.6756 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 6 M 8.40 4.13 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 7 E 7.23 3.19 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 2.19 1.94 0.00 8 V 7.88 4.69 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 0.91 0.00 0.00 0.93 0.00 0.00 9 I 7.65 4.18 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 1.23 0.85 0.91 0.00 0.00 10 E 8.92 4.29 0.00 2.02 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 2.42 2.58 0.00 11 L 8.88 4.58 0.00 1.59 1.60 0.94 0.94 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 12 N 9.75 4.83 0.00 2.80 2.95 0.00 0.00 6.53 6.89 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 13 K 8.09 4.67 0.00 1.69 1.71 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.49 7.81 14 C 8.52 4.89 0.00 2.93 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 15 T 8.75 3.95 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 16 S 7.49 4.88 0.00 3.58 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 17 G 7.03 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 0.00 0.00 0.00 18 Q 8.03 4.55 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 19 S 7.79 4.69 0.00 3.58 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.60 4.93 0.00 3.00 2.35 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 21 E 9.34 5.05 0.00 2.10 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 2.17 2.14 0.00 22 V 8.75 4.37 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 0.93 0.00 0.00 23 I 8.11 4.25 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 1.30 1.12 0.91 0.00 0.00 24 L 8.70 4.55 0.00 1.56 1.69 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.50 4.57 0.00 1.76 1.50 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.03 7.81 26 P 0.00 4.67 0.00 2.04 2.04 0.00 3.65 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 2.03 2.07 0.00 27 P 0.00 4.20 0.00 2.19 2.18 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 28 S 8.14 4.82 0.00 3.92 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 0.00 *29 F 7.38 4.95 0.00 2.29 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 0.00 0.00 0.00 30 D 8.75 4.49 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 32 V 7.22 4.58 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 0.75 0.00 0.00 0.93 0.00 0.00 33 P 0.00 3.90 0.00 0.49 0.49 0.00 3.38 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 34 E 8.08 4.25 0.00 2.04 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 0.00 2.06 1.78 0.00 35 F 7.08 4.78 0.00 2.98 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 36 N 8.88 4.24 0.00 2.81 2.68 0.00 0.00 6.90 7.46 0.00 0.00 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 A 7.85 4.37 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 38 S 7.73 4.51 0.00 3.64 3.66 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 39 L 8.65 4.16 0.00 1.66 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.63 0.00 2.03 2.05 0.00 3.58 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 1.99 2.06 0.00 41 R 8.04 4.61 0.00 1.78 1.65 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 42 R 8.47 3.96 0.00 1.82 1.76 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 *45 P 0.00 4.15 0.00 2.06 2.11 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 46 S 8.28 4.69 0.00 3.84 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 47 L 8.11 4.64 0.00 1.50 1.47 0.92 0.82 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 48 E 9.23 4.02 0.00 1.88 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 2.32 1.91 0.00 49 E 8.48 4.03 0.00 1.88 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 1.89 0.00 50 I 7.59 4.47 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 1.18 1.10 0.91 0.00 0.00 51 Q 8.01 4.18 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 52 K 8.25 4.30 0.00 1.83 1.68 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.26 7.81 53 K 7.75 4.50 0.00 1.83 1.73 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.03 7.81 54 L 8.12 4.36 0.00 1.78 1.80 0.92 0.89 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 55 E 8.07 3.97 0.00 2.05 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 2.40 2.37 0.00 56 A 7.95 4.12 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 57 A 7.75 4.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.84 4.12 0.00 2.19 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 2.31 2.33 0.00 59 E 8.56 4.26 0.00 2.00 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 2.24 2.22 0.00 60 R 7.62 4.41 0.00 2.04 2.05 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 61 R 8.23 3.94 0.00 1.89 2.05 0.00 3.23 0.00 0.00 3.38 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 62 K 7.99 4.00 0.00 1.93 1.76 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.37 7.81 63 Y 8.72 4.66 0.00 3.11 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 64 Q 5.78 3.27 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 65 E 8.23 3.93 0.00 2.04 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 2.22 0.00 66 A 8.65 4.39 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 67 E 8.20 4.75 0.00 1.98 1.49 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 2.19 2.30 0.00 68 L 6.92 5.77 0.00 1.78 1.56 0.92 0.88 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 69 L 7.23 4.61 0.00 1.71 1.86 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.94 3.93 0.00 2.03 1.77 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *71 H 7.96 4.51 0.00 2.97 2.93 0.00 7.17 0.00 0.00 0.00 0.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.70 4.64 0.00 1.65 1.75 0.91 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 73 A 8.06 4.32 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 74 E 7.95 3.84 0.00 2.35 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 2.30 2.31 0.00 75 K 8.44 3.87 0.00 1.84 1.74 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.47 7.81 76 R 8.19 4.47 0.00 1.81 1.92 0.00 3.29 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 77 E 7.73 4.70 0.00 2.17 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 2.28 2.44 0.00 78 H 8.90 4.66 0.00 3.13 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.41 4.01 0.00 2.30 2.03 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 2.44 2.48 0.00 80 R 7.50 4.00 0.00 1.90 1.88 0.00 3.25 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 81 E 8.70 4.62 0.00 1.91 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 2.21 2.42 0.00 82 V 7.89 3.63 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 0.72 0.00 0.00 0.93 0.00 0.00 83 I 7.75 3.78 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 1.52 0.53 0.91 0.00 0.00 84 Q 7.78 4.31 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 85 K 7.83 4.26 0.00 1.84 1.76 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 86 A 7.81 4.65 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.74 3.92 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 1.38 0.70 0.91 0.00 0.00 88 E 8.13 4.39 0.00 2.09 1.88 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 2.25 2.19 0.00 89 E 7.96 4.32 0.00 1.91 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 2.24 2.19 0.00 90 N 8.74 4.68 0.00 2.98 2.78 0.00 0.00 7.44 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 91 N 8.28 4.30 0.00 2.73 2.81 0.00 0.00 6.84 7.46 0.00 0.00 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 N 7.66 5.05 0.00 3.08 2.88 0.00 0.00 6.89 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.93 4.94 0.00 2.98 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 94 I 7.93 3.30 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.18 0.89 0.00 0.00 95 K 7.53 4.03 0.00 1.85 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 96 M 7.70 4.55 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 97 A 8.07 4.34 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 98 K 8.00 4.05 0.00 1.86 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.31 7.81 99 E 7.99 4.51 0.00 2.00 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 0.00 2.33 2.35 0.00 100 K 8.35 4.37 0.00 1.84 1.69 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.31 7.81 101 L 7.72 4.32 0.00 1.86 1.86 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.92 4.20 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 0.00 103 Q 7.88 4.00 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 104 K 7.67 4.42 0.00 1.89 2.04 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 M 7.79 4.42 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 106 E 7.95 4.31 0.00 2.07 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 2.33 2.44 0.00 107 S 7.78 4.39 0.00 4.10 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 0.00 108 N 7.76 4.49 0.00 2.73 2.76 0.00 0.00 6.83 5.98 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 0.00 109 K 7.73 4.08 0.00 1.91 1.79 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 110 E 8.04 4.03 0.00 2.03 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 2.24 2.22 0.00 111 N 7.73 4.49 0.00 2.96 2.89 0.00 0.00 6.83 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 0.00 112 R 7.78 4.04 0.00 2.00 2.23 0.00 3.08 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 113 E 8.09 4.00 0.00 2.26 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 2.31 2.38 0.00 114 A 7.63 4.45 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 *115 H 8.17 4.10 0.00 3.04 3.01 0.00 7.19 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.27 4.56 0.00 1.72 1.76 0.92 1.42 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 0.00 117 A 8.03 4.32 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 0.00 118 A 7.66 4.34 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 0.00 119 M 7.74 4.09 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 120 L 8.82 4.10 0.00 1.64 1.69 0.92 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 0.00 121 E 7.61 4.13 0.00 1.85 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 2.24 2.22 0.00 122 R 8.19 4.11 0.00 2.02 2.02 0.00 3.14 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 123 L 7.43 4.57 0.00 1.71 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 9.06 4.55 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.58 0.00 125 E 7.52 4.66 0.00 1.72 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 2.23 2.35 0.00 126 K 8.03 4.09 0.00 1.87 1.80 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.54 7.81 127 D 8.13 4.54 0.00 2.88 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 0.00 128 K 7.71 4.69 0.00 1.73 1.68 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.24 7.81 129 H 8.24 4.73 0.00 3.21 3.48 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.13 3.88 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 0.00 131 E 8.27 3.96 0.00 1.91 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 2.29 1.87 0.00 132 E 8.07 4.65 0.00 1.97 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 2.16 1.85 0.00 133 V 7.66 4.49 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 0.94 0.00 0.00 0.85 0.00 0.00 134 R 7.70 4.42 0.00 1.83 2.36 0.00 2.81 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 135 K 7.63 4.21 0.00 1.86 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.24 7.81 136 N 7.93 4.88 0.00 2.61 2.69 0.00 0.00 7.01 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 0.00 137 K 8.15 4.09 0.00 1.74 1.80 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.26 7.81 138 E 8.18 4.15 0.00 1.98 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 2.23 1.87 0.00 139 L 7.48 4.31 0.00 1.61 1.92 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.60 3.88 0.00 1.82 1.53 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.00 7.81 141 E 7.94 4.23 0.00 2.06 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 2.17 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.