NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 5.0383 8.1449 118.3792 57.0556 38.8407 174.8500 4 P 4.2093 0.0000 0.0000 60.7511 31.9651 170.9363 5 V 4.1098 8.2353 121.1173 59.6803 33.4180 174.9766 6 N 4.3088 8.6852 124.0853 52.9832 38.9218 173.5823 7 P 4.3205 0.0000 0.0000 65.2520 31.7539 176.9128 8 D 4.6538 8.5838 116.7676 54.5517 41.4980 177.7859 9 L 3.9402 7.8189 119.9816 55.4073 41.5086 176.4372 *11 P 4.3249 0.0000 0.0000 62.1353 33.4834 177.9489 12 A 4.1560 8.1082 121.0007 55.3625 18.4679 180.7068 13 L 4.2502 8.0370 113.6002 55.3159 41.1404 179.1693 *15 A 4.2718 8.1407 123.7938 52.3430 20.5981 180.1731 16 V 3.5554 8.0509 115.0616 65.9426 31.5074 177.8633 17 F 3.8448 8.4800 120.6457 61.3937 39.2301 176.8552 18 Q 4.0192 8.2583 118.5202 59.4371 28.9492 177.4264 19 H 4.0323 8.4054 119.3844 59.2659 29.8067 177.3456 20 V 3.3329 7.7379 119.9815 65.7993 31.2668 177.8419 21 R 3.6723 7.6489 118.6258 59.6957 29.9069 178.6377 22 T 3.8321 7.8813 109.4871 64.7692 68.6306 176.7860 23 R 3.8131 7.9086 120.8989 58.9419 30.0620 179.0274 24 I 3.6169 7.9253 119.9952 64.2538 37.0102 178.1431 25 Q 3.8795 8.1187 120.4176 59.3358 28.9227 178.2255 26 S 4.0342 8.0783 114.0468 61.5408 62.3637 175.8408 27 E 3.9391 8.4188 122.0595 59.1668 29.3572 178.7576 28 L 3.9821 8.3982 119.5454 57.9041 41.7672 179.2199 29 D 4.3699 8.4001 119.1413 57.6122 40.5110 178.6871 30 C 4.2339 8.0027 116.3765 62.2786 28.1788 175.1073 31 Q 4.2963 7.8622 116.9825 54.5422 29.2082 175.6871 32 R 3.7298 7.4965 118.1689 57.2897 28.1739 176.7684 33 L 4.1494 7.9516 115.0915 54.4968 42.9300 176.7005 34 D 4.3562 8.0056 117.4914 55.1057 39.3638 172.1283 35 L 4.9702 7.3922 116.3439 52.6579 46.6323 176.8756 36 T 4.7707 8.4760 110.7946 59.2918 72.5667 173.6384 37 P 4.2531 0.0000 0.0000 65.5103 31.2255 177.1609 38 P 4.3690 0.0000 0.0000 65.6002 31.1956 178.3027 39 D 4.3482 7.9130 117.9064 57.3140 40.6993 178.8872 40 V 3.6086 7.6787 118.2763 66.3201 31.5318 177.4039 41 H 4.2027 8.3046 117.8019 59.4032 29.7938 177.2927 42 V 3.5434 8.0459 120.0473 66.0862 31.3927 177.9710 43 L 4.0007 8.3205 119.1128 57.6007 41.3650 179.4724 44 K 3.9310 8.3315 119.7562 59.5156 32.0527 178.9726 45 L 4.0115 8.0409 119.3151 57.7325 41.2635 179.6120 46 I 3.6806 7.4507 118.9106 64.2209 37.1153 177.6756 47 D 4.4404 7.8670 117.8212 57.4115 41.2435 177.7524 48 E 4.3116 8.1909 116.4639 57.2037 31.3380 177.1084 49 Q 4.5696 7.6770 118.0787 52.8069 29.1154 174.2613 50 R 4.0149 7.9245 114.9325 58.0243 29.9887 178.1217 51 G 3.6318 8.5735 108.7811 44.9007 0.0000 173.1664 52 L 3.8455 7.3982 122.0858 55.3626 42.6683 176.1582 53 N 5.8310 8.3536 123.9191 50.3530 40.9184 175.7883 54 L 3.9321 8.3956 120.4051 58.3290 41.6439 179.7206 55 Q 3.9457 8.1428 118.6343 59.2147 28.9737 177.8942 56 D 4.3291 8.6841 120.2396 57.1241 40.6602 178.3496 57 L 3.9892 7.7648 119.9068 58.1128 42.3810 178.8367 58 G 3.8141 8.2502 105.7087 47.9861 0.0000 175.7753 59 R 3.9899 7.7357 119.3532 58.8449 30.2238 179.8320 60 Q 4.2718 7.9631 116.4948 56.0503 29.1758 176.3474 *62 C 4.4491 8.0228 114.6934 59.7884 29.7440 174.0619 63 R 4.7406 7.7592 116.8752 53.4304 33.6778 176.0614 64 D 4.5859 8.3553 120.2372 52.8830 41.5225 177.3222 65 K 3.8138 8.6966 120.7978 60.4007 32.2736 178.8061 66 A 3.9471 7.9449 121.2888 54.9346 18.3058 179.4443 67 L 3.9125 7.9923 118.1590 58.3762 42.2466 179.0584 68 I 3.7415 7.8187 119.8502 64.4873 36.9566 178.5077 69 T 3.8217 8.5398 117.2163 66.7481 68.3031 176.8543 70 R 3.8931 7.7910 119.4462 59.0517 30.0017 179.0387 71 K 3.9349 8.0147 119.4255 59.6523 32.2329 178.9886 72 I 3.6963 7.9479 120.1895 64.2723 36.9555 178.3755 73 R 3.9650 8.1773 119.7627 59.2277 29.8359 178.3077 74 E 3.9085 8.2368 119.2130 59.3406 29.7363 178.8431 75 L 4.0586 8.1663 119.1457 57.5768 41.5952 179.5081 76 E 4.8579 8.2558 120.5897 59.0904 29.2886 179.5815 77 G 3.9682 8.0455 104.1282 47.3295 0.0000 174.7995 78 R 4.3152 7.6336 117.7253 55.0147 30.5785 175.5699 79 N 4.2631 8.4562 116.6085 55.0003 38.0706 174.5269 80 L 4.6917 8.0861 117.3308 54.7978 44.7013 177.1520 81 V 5.1795 7.6806 117.1611 61.0142 35.5891 174.4005 82 R 5.0336 9.0012 121.0503 54.6629 33.0141 174.1099 83 R 5.0679 8.4921 119.4060 55.3857 32.3805 176.4051 84 E 4.5721 9.2182 121.5931 56.1701 31.4573 175.3758 *91 R 4.1162 8.5619 126.5104 55.2209 32.0797 175.3228 92 S 4.8399 7.5725 109.8143 56.5275 66.3789 172.6857 93 F 4.8471 8.8451 120.0357 56.3434 40.8048 175.2287 94 Q 4.7279 9.9254 123.3764 55.1670 30.5110 174.5949 95 L 5.0117 8.6909 123.0985 53.1255 43.8443 176.1152 96 F 5.0286 8.7541 120.8452 55.6373 43.4740 174.2084 97 L 4.8741 8.7146 121.5127 54.7212 42.8975 177.6398 98 T 4.3995 8.4433 113.4992 60.6732 72.0355 175.3680 99 D 4.2934 8.4630 118.7786 57.5486 41.0576 177.6010 100 E 4.0912 8.2327 119.6061 59.1025 29.6447 178.8109 101 G 3.6480 8.2140 105.9388 47.7523 0.0000 175.7051 102 L 4.0365 8.3300 121.4645 57.4156 41.6595 179.5348 103 A 3.9561 7.8960 120.1932 55.1559 18.3751 179.4347 104 I 3.6925 8.0789 117.5506 64.5954 38.0644 177.3789 105 H 4.1401 8.4926 119.2128 59.5238 29.7786 176.9725 106 Q 3.8673 8.2215 121.2239 59.1793 28.7852 177.9112 107 H 4.0825 8.1846 117.1720 58.8932 28.6122 177.4132 108 A 3.9995 7.9101 121.0791 55.2243 18.2117 178.8805 109 E 3.9575 8.0327 116.5327 59.4353 29.9926 178.6557 110 A 4.1940 7.8531 120.2832 55.0299 18.4252 180.3625 111 I 3.6111 7.6194 116.5997 61.8770 36.9724 178.3175 *113 S 4.4364 8.0913 117.0936 58.3967 65.0976 175.8654 114 R 3.8533 8.0755 120.7962 59.1697 29.8730 178.6923 115 V 3.5276 7.8720 118.0715 66.3989 31.5471 177.8205 116 H 3.9195 8.1752 115.4314 58.6356 28.4922 177.4138 117 D 4.5003 8.4988 121.4914 57.3333 40.4573 178.6065 118 E 3.9397 7.9830 117.1204 59.1769 29.5929 178.6996 119 L 3.8894 7.3540 120.2549 57.6591 42.4668 178.2987 120 F 4.8249 8.0805 116.1960 58.6102 39.0401 177.6858 121 A 4.0907 8.1455 121.0579 54.6707 18.2425 177.0541 122 P 4.3328 0.0000 0.0000 64.7995 31.6403 176.4884 123 L 4.5025 7.6688 119.4301 54.0453 42.6548 177.1309 124 T 4.1666 9.0869 116.7458 61.1661 69.3817 173.7774 125 P 4.2128 0.0000 0.0000 65.7326 31.2963 179.2176 126 V 3.6283 7.6927 116.5825 65.9246 31.4863 177.8155 127 E 3.9991 8.1120 117.9493 59.3220 29.3174 179.1383 128 Q 3.8575 8.3102 117.9641 59.0038 28.8866 178.6600 129 A 3.9246 7.9301 121.6408 55.5968 18.3715 179.8714 130 T 3.9321 8.0169 114.1951 66.5675 68.4240 176.7004 131 L 3.9415 8.1877 122.7754 58.0921 42.0768 179.2024 132 V 3.4898 7.8403 118.1686 66.2644 31.4478 177.7151 133 H 4.1616 7.9366 115.3454 58.9400 28.3584 177.7885 134 L 4.0253 7.8208 119.3588 57.7785 41.7265 179.3217 135 L 4.1565 8.2740 119.2309 57.9871 41.6658 179.2072 136 D 4.4136 8.6036 119.1708 57.6057 40.4797 178.9815 137 Q 4.0829 7.8730 117.7438 59.0104 28.8091 177.9833 138 C 4.3711 7.8173 115.2676 60.1367 28.4989 173.7532 139 L 4.4211 7.4010 120.6672 53.6051 42.5578 175.9024 140 A 3.6466 7.9286 122.1349 50.3040 19.2352 177.4258 141 A 3.9546 8.5818 126.1704 51.6210 19.0045 176.4404 142 Q 3.8801 8.5559 118.3218 56.0158 27.7783 175.2538 143 P 4.3850 0.0000 0.0000 62.1752 32.7506 175.9400 144 L 3.3544 6.3760 117.6999 51.7037 41.6677 176.3671 145 E 4.5984 8.2283 118.2504 56.2029 30.3018 174.3719 146 D 4.7242 9.0266 123.0839 51.9274 40.4494 176.8852 147 I 3.5857 7.5614 125.2982 62.0124 38.4477 172.7411 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 3 Y 8.14 5.04 0.00 2.96 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 4 P 0.00 4.21 0.00 2.14 2.01 0.00 3.75 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 2.07 2.18 0.00 5 V 8.24 4.11 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 0.72 0.00 0.00 0.94 0.00 0.00 6 N 8.69 4.31 0.00 2.73 2.75 0.00 0.00 7.17 7.71 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 7 P 0.00 4.32 0.00 2.08 2.11 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 8 D 8.58 4.65 0.00 2.84 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 9 L 7.82 3.94 0.00 1.75 1.73 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *11 P 0.00 4.32 0.00 2.11 2.14 0.00 3.81 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 2.10 2.09 0.00 12 A 8.11 4.16 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 13 L 8.04 4.25 0.00 1.76 1.74 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.14 4.27 1.42 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 0.00 0.00 16 V 8.05 3.56 2.27 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 1.04 0.00 0.00 0.96 0.00 0.00 17 F 8.48 3.84 0.00 3.33 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 18 Q 8.26 4.02 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 19 H 8.41 4.03 0.00 3.24 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.74 3.33 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 0.78 0.00 0.00 0.68 0.00 0.00 21 R 7.65 3.67 0.00 1.61 1.92 0.00 3.30 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 22 T 7.88 3.83 4.19 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 0.00 0.00 1.25 0.00 0.00 23 R 7.91 3.81 0.00 1.81 1.89 0.00 3.18 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 24 I 7.93 3.62 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.88 0.00 0.00 25 Q 8.12 3.88 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 26 S 8.08 4.03 0.00 3.97 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 27 E 8.42 3.94 0.00 2.29 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 2.28 2.37 0.00 28 L 8.40 3.98 0.00 1.84 1.69 0.93 1.05 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 29 D 8.40 4.37 0.00 2.83 2.70 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 30 C 8.00 4.23 0.00 3.09 2.98 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 0.00 0.00 0.00 31 Q 7.86 4.30 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 32 R 7.50 3.73 0.00 1.92 1.94 0.00 3.14 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 33 L 7.95 4.15 0.00 1.63 1.68 0.90 0.96 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 34 D 8.01 4.36 0.00 2.71 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 35 L 7.39 4.97 0.00 1.61 1.50 0.94 0.92 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 36 T 8.48 4.77 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 1.22 0.00 0.00 37 P 0.00 4.25 0.00 2.18 2.10 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 38 P 0.00 4.37 0.00 2.19 2.15 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 39 D 7.91 4.35 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.68 3.61 2.28 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 1.10 0.00 0.00 0.98 0.00 0.00 41 H 8.30 4.20 0.00 3.28 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.05 3.54 2.22 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 0.96 0.00 0.00 0.95 0.00 0.00 43 L 8.32 4.00 0.00 1.91 1.72 0.96 0.65 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 44 K 8.33 3.93 0.00 2.00 2.07 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.68 7.81 45 L 8.04 4.01 0.00 1.80 1.67 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.45 3.68 1.96 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 1.35 0.59 0.89 0.00 0.00 47 D 7.87 4.44 0.00 2.53 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 48 E 8.19 4.31 0.00 2.13 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 2.36 2.37 0.00 49 Q 7.68 4.57 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 50 R 7.92 4.01 0.00 2.06 2.05 0.00 3.10 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 51 G 8.57 3.63 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 0.00 0.00 0.00 52 L 7.40 3.85 0.00 1.98 1.45 0.95 0.33 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 53 N 8.35 5.83 0.00 3.15 2.91 0.00 0.00 6.72 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 54 L 8.40 3.93 0.00 1.71 1.77 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.14 3.95 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 56 D 8.68 4.33 0.00 2.80 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 57 L 7.76 3.99 0.00 1.59 1.84 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.25 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.74 3.99 0.00 1.99 2.00 0.00 3.17 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 60 Q 7.96 4.27 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.24 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 *62 C 8.02 4.45 0.00 2.98 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 63 R 7.76 4.74 0.00 1.76 1.77 0.00 3.32 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 64 D 8.36 4.59 0.00 2.86 2.79 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 65 K 8.70 3.81 0.00 1.95 2.12 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.46 7.81 66 A 7.94 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 67 L 7.99 3.91 0.00 1.84 1.83 0.92 1.05 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 68 I 7.82 3.74 1.97 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 1.69 0.67 0.89 0.00 0.00 69 T 8.54 3.82 4.37 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 1.16 0.00 0.00 70 R 7.79 3.89 0.00 2.00 1.96 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 71 K 8.01 3.93 0.00 1.88 1.95 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 72 I 7.95 3.70 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 1.56 0.60 0.94 0.00 0.00 73 R 8.18 3.96 0.00 1.97 2.03 0.00 3.07 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 74 E 8.24 3.91 0.00 2.09 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 0.00 2.30 2.35 0.00 75 L 8.17 4.06 0.00 1.84 1.71 0.92 1.06 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 76 E 8.26 4.86 0.00 2.14 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 2.49 2.38 0.00 77 G 8.05 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 0.00 0.00 0.00 78 R 7.63 4.32 0.00 1.95 1.98 0.00 3.32 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 79 N 8.46 4.26 0.00 2.77 2.88 0.00 0.00 6.98 7.72 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 80 L 8.09 4.69 0.00 1.75 1.68 0.94 0.64 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 81 V 7.68 5.18 2.09 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 1.05 0.00 0.00 0.94 0.00 0.00 82 R 9.00 5.03 0.00 1.94 2.01 0.00 2.87 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 83 R 8.49 5.07 0.00 1.78 2.02 0.00 3.12 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 84 E 9.22 4.57 0.00 2.24 2.20 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 2.30 2.31 0.00 *91 R 8.56 4.12 0.00 1.81 1.96 0.00 3.24 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 92 S 7.57 4.84 0.00 4.00 3.78 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 93 F 8.85 4.85 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 94 Q 9.93 4.73 0.00 1.71 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 95 L 8.69 5.01 0.00 1.25 1.48 0.87 0.70 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 96 F 8.75 5.03 0.00 3.06 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 97 L 8.71 4.87 0.00 1.57 1.64 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.44 4.40 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 1.25 0.00 0.00 99 D 8.46 4.29 0.00 2.74 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 0.00 100 E 8.23 4.09 0.00 2.09 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 2.40 2.39 0.00 101 G 8.21 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 0.00 0.00 0.00 102 L 8.33 4.04 0.00 1.89 1.76 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.90 3.96 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 0.00 104 I 8.08 3.69 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 1.43 1.22 1.00 0.00 0.00 105 H 8.49 4.14 0.00 3.34 3.59 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.22 3.87 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 107 H 8.18 4.08 0.00 3.51 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.91 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 0.00 109 E 8.03 3.96 0.00 1.98 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 0.00 2.27 2.34 0.00 110 A 7.85 4.19 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 0.00 111 I 7.62 3.61 2.04 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 1.57 0.91 0.89 0.00 0.00 *113 S 8.09 4.44 0.00 4.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.08 3.85 0.00 2.02 2.11 0.00 3.25 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 V 7.87 3.53 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 0.80 0.00 0.00 0.86 0.00 0.00 116 H 8.18 3.92 0.00 3.32 3.51 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.50 4.50 0.00 2.86 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 0.00 118 E 7.98 3.94 0.00 2.11 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 2.49 2.31 0.00 119 L 7.35 3.89 0.00 1.43 1.25 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.08 4.82 0.00 3.19 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 0.00 121 A 8.15 4.09 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 0.00 122 P 0.00 4.33 0.00 2.20 2.21 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 123 L 7.67 4.50 0.00 1.83 1.66 1.02 0.66 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 0.00 124 T 9.09 4.17 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 1.27 0.00 0.00 125 P 0.00 4.21 0.00 2.19 2.09 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 126 V 7.69 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 1.07 0.00 0.00 0.93 0.00 0.00 127 E 8.11 4.00 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 2.41 2.41 0.00 128 Q 8.31 3.86 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 129 A 7.93 3.92 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 0.00 130 T 8.02 3.93 4.40 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 1.22 0.00 0.00 131 L 8.19 3.94 0.00 1.90 1.66 0.95 0.78 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 0.00 132 V 7.84 3.49 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 0.86 0.00 0.00 133 H 7.94 4.16 0.00 3.39 3.30 0.00 5.68 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 0.00 134 L 7.82 4.03 0.00 1.77 1.74 0.93 0.89 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 0.00 135 L 8.27 4.16 0.00 1.83 1.72 0.92 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 0.00 136 D 8.60 4.41 0.00 2.81 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 0.00 137 Q 7.87 4.08 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 138 C 7.82 4.37 0.00 3.13 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 0.00 139 L 7.40 4.42 0.00 1.82 1.60 0.93 0.76 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 0.00 140 A 7.93 3.65 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 0.00 141 A 8.58 3.95 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 0.00 142 Q 8.56 3.88 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 143 P 0.00 4.38 0.00 2.17 2.03 0.00 3.79 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 1.93 1.97 0.00 144 L 6.38 3.35 0.00 1.70 1.75 0.92 0.81 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 0.00 145 E 8.23 4.60 0.00 1.86 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 2.12 2.21 0.00 146 D 9.03 4.72 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 0.00 147 I 7.56 3.59 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 1.27 0.47 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.