NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 N 4.7612 8.2827 117.7916 51.7243 39.6150 174.8288 24 I 3.5689 8.1613 116.5941 64.2270 37.9358 174.2425 25 E 4.1856 8.3480 121.6123 58.7960 29.7735 178.4910 26 S 4.1939 7.8995 114.0508 61.1438 62.8847 176.4954 27 I 3.8584 7.5319 123.2974 63.8984 36.8432 177.7056 28 E 4.0364 8.3800 118.4328 59.2898 28.9881 178.1747 29 N 4.6576 7.8521 114.8419 54.2174 38.9839 175.8977 30 L 4.4371 7.8380 120.6193 54.9607 42.0269 177.6024 31 Q 4.2186 7.7745 117.3267 56.9664 28.7733 176.8712 32 G 3.8332 7.7797 106.1249 45.8513 0.0000 174.2025 33 I 3.7799 7.6253 122.9852 60.4078 37.7652 175.4954 34 R 3.8757 8.7041 124.7605 58.0947 30.0376 175.9073 35 A 3.9059 8.7803 126.5406 52.8203 16.3751 175.7914 36 L 4.4385 7.5442 120.7740 56.8422 42.9303 176.3022 37 Q 4.4762 9.2571 127.4108 54.5019 32.6433 173.2487 38 Q 4.3711 8.8752 128.5506 56.3520 29.0492 175.4667 39 Q 4.3353 9.0111 125.7775 57.5537 30.0773 175.4093 40 A 4.5543 7.5013 117.9087 50.5262 21.8554 174.9186 41 P 4.2910 0.0000 0.0000 65.3355 31.5958 177.7842 42 Q 5.2898 8.0777 113.7786 54.5604 29.3883 173.9644 43 L 5.2212 8.0029 121.1707 53.3998 45.0420 175.1452 44 L 5.1519 9.1373 126.9723 53.1344 44.4415 175.7296 45 S 5.8747 9.0229 116.4316 56.1739 66.6345 172.9373 46 S 4.9265 7.7065 114.5475 58.6965 66.1909 173.4677 47 G 4.3656 8.4782 107.8517 44.9437 0.0000 172.6807 48 L 4.3403 8.3689 124.1123 53.4133 42.2773 175.9774 49 P 4.2518 0.0000 0.0000 62.1529 31.7022 176.2892 50 N 4.7166 8.6882 120.7132 51.7556 38.9561 174.9538 51 E 4.2849 8.9043 118.5095 59.5024 29.7939 178.8096 52 Q 4.0756 8.1477 116.8991 59.4419 28.4607 178.3450 53 Q 3.9415 8.4593 119.7863 58.4910 28.6084 178.5883 54 F 4.2946 7.8685 118.9533 60.5883 38.8815 177.7474 55 S 4.2197 8.1748 114.4542 61.5474 62.6647 176.5400 56 L 4.0150 7.6801 121.8794 57.6253 41.3340 179.4250 57 L 3.9909 8.1575 119.1167 57.7152 41.6102 179.4393 58 K 3.9383 8.1171 119.3760 59.8498 31.9547 178.8778 59 Q 4.0339 8.0978 116.5565 58.6028 28.6811 177.9614 60 A 4.5501 7.3139 121.2683 52.1105 18.7074 178.0701 61 G 3.9945 7.8954 105.6191 44.7969 0.0000 174.2527 62 V 3.7705 7.6177 119.8980 63.0534 32.0217 175.2476 63 D 4.8525 9.0293 126.5835 55.2193 42.6705 177.1969 64 V 4.6724 7.6265 116.8725 60.9809 35.4816 174.2457 65 V 4.8506 9.0578 127.4545 61.2687 34.1387 174.0647 66 I 4.7178 9.1558 129.4535 59.7859 39.3355 174.0586 67 N 4.8671 9.1198 127.6565 51.9856 40.7042 174.3327 68 L 5.5781 8.3589 128.9393 51.9721 40.7770 173.2346 *70 P 4.6405 0.0000 0.0000 61.9561 32.9630 177.8481 71 D 4.4890 9.3457 123.1925 57.3190 40.8670 178.2535 72 S 4.2657 8.0815 112.2822 60.1304 63.5486 174.5860 73 S 4.2080 8.0967 117.7499 57.9732 62.5007 175.0574 74 K 4.1239 8.5761 126.0311 59.2761 32.5705 177.3909 75 D 4.4794 7.8372 118.0409 54.9207 41.3010 176.7539 76 A 4.2050 7.4742 122.2631 51.7332 18.9925 177.1397 77 H 4.4026 8.3855 117.1857 55.1678 29.4075 174.5882 78 P 4.3858 0.0000 0.0000 65.6222 31.3704 176.8532 79 D 4.5731 7.4954 116.8942 51.5785 42.1690 174.4615 80 E 3.8211 8.4288 124.6722 58.6621 29.8978 177.9775 81 G 2.3764 7.1687 105.0711 46.9567 0.0000 175.2849 82 K 3.7463 7.7499 121.3652 59.3949 32.3302 178.8819 83 L 3.7933 7.1925 118.8570 57.5935 41.2318 179.7907 84 V 3.1217 7.0808 117.5536 66.0681 31.7937 177.9784 85 T 4.0188 7.9597 109.9087 64.7814 68.4607 176.6146 86 Q 3.9716 8.0852 120.2024 58.4548 28.7916 177.7675 87 A 4.3234 7.5184 118.6659 51.7261 19.8787 176.7718 88 G 3.4540 7.7159 104.7691 45.7829 0.0000 173.3932 *90 D 4.5412 7.3818 117.5126 54.3165 43.4056 175.7068 91 Y 5.2568 8.5971 121.8604 55.8367 41.5616 174.6614 92 V 4.2223 8.3614 126.1610 61.0135 34.7896 173.2682 93 Y 4.9450 8.4677 128.6000 56.0891 40.6881 175.2866 94 I 4.4414 8.3310 128.5155 58.3288 38.0621 172.2491 95 P 4.6669 0.0000 0.0000 62.3413 32.4635 176.3428 96 V 4.4010 8.2244 122.8062 60.9312 33.6508 174.5679 97 D 4.6031 8.7879 127.9681 53.5001 41.8696 175.5595 98 W 4.6569 9.1358 135.0000 60.6949 30.8802 176.6124 99 Q 4.1422 8.2433 116.6670 57.7547 29.3561 175.4416 100 N 4.8721 8.0133 115.3488 51.9804 39.6937 172.0314 101 P 4.2035 0.0000 0.0000 62.4628 32.6685 176.7385 102 K 4.5208 8.6417 120.5108 54.1949 34.8056 177.4514 103 V 3.4482 8.2668 121.0194 66.3231 31.2466 178.1073 104 E 3.8796 8.0885 118.3838 59.1665 29.4328 178.4793 105 D 4.3542 7.9747 119.1644 57.2333 40.8623 178.7457 106 V 2.7767 7.4178 118.1488 65.8351 31.3703 177.6959 107 E 3.7689 8.1742 118.2746 59.2703 29.2103 179.2425 108 A 4.0004 8.1775 120.8997 55.0030 18.2125 179.4074 109 F 4.3072 8.1754 118.1659 61.6944 39.6225 176.9743 110 F 4.3730 8.2506 116.2069 60.6389 38.9479 177.2479 111 A 4.2131 8.5326 120.4885 54.7798 18.2690 180.0944 112 A 3.9189 8.0766 118.1079 52.6307 18.2029 178.9238 *114 D 4.5706 8.0900 122.3302 56.0349 42.8853 176.5207 115 Q 4.2034 7.9589 115.9177 57.6751 29.0752 175.8678 116 H 4.8913 7.6071 115.1444 54.5454 29.7825 173.5173 117 K 4.0516 8.1330 120.3089 58.1811 32.3039 176.7517 118 G 3.9730 8.9694 113.8050 45.4202 0.0000 173.3555 119 K 4.3987 7.6899 118.6521 55.3213 33.6052 175.8357 120 D 4.8833 9.1550 121.8692 53.8957 42.0412 175.7692 121 V 4.8979 8.7519 123.6029 60.9024 35.0226 173.6842 122 L 5.2887 8.9214 129.6714 53.3640 44.3310 175.0453 123 V 5.1050 8.8471 126.6605 60.3701 33.8233 174.5781 124 H 5.5489 9.1426 119.2946 53.9704 32.4227 171.5135 125 C 4.5809 8.6874 117.1252 58.0116 32.7941 175.5025 126 L 4.1546 8.8560 115.3493 56.7621 42.1345 177.7500 127 A 4.6909 7.2796 116.7977 51.3818 19.9143 174.9939 128 N 4.2933 8.2817 114.3571 56.4549 37.4360 176.0640 129 Y 3.4904 7.7335 114.3847 60.1432 38.0011 177.3697 130 R 3.8710 7.8903 117.9481 59.5232 30.2414 178.9602 131 A 3.8605 7.8901 120.0046 55.1225 18.4364 179.6896 132 S 4.2501 8.1576 112.8131 61.3962 63.0958 176.6551 133 A 4.1611 8.4616 124.3653 55.2747 18.2494 179.6854 134 F 4.3481 8.9620 116.3245 60.6051 38.8116 177.8331 135 A 4.4102 8.7708 121.0481 55.3537 18.1311 178.9148 136 Y 4.1506 8.5142 118.1538 61.1267 38.8651 178.5700 137 L 3.8332 8.3310 119.7987 57.6788 41.7003 178.9672 138 Y 3.6947 8.5965 119.6363 60.8254 38.8550 178.0427 139 Q 3.6885 8.4020 119.1929 58.6148 28.7560 178.5522 140 L 3.6154 7.7517 121.8511 57.9258 41.8793 179.2433 141 K 3.9399 7.5432 117.2035 59.4834 32.6496 178.4568 142 Q 3.8882 7.2839 117.2529 56.0560 28.5215 176.8240 143 G 3.8136 7.4315 108.2412 46.1612 0.0000 174.3971 144 Q 4.0515 7.9754 116.5619 55.1217 29.4860 175.2933 145 N 4.0457 7.9335 115.9836 53.8775 37.0823 171.7652 146 P 4.4541 0.0000 0.0000 62.8078 32.9475 176.6085 147 N 4.6439 8.3707 117.7871 52.5201 41.1252 174.6344 *149 A 4.1557 8.3819 119.0609 52.4348 20.4944 178.1666 150 Q 4.1080 8.6081 115.9452 59.8238 29.1128 179.0842 151 T 4.2356 7.8598 110.6977 64.5861 67.9133 175.4351 *153 T 4.4286 8.0155 120.6396 63.2883 70.2662 174.6221 154 P 4.1530 0.0000 0.0000 64.6326 31.5508 177.4906 155 W 3.2241 8.1403 117.5697 57.1303 29.4465 175.3649 156 N 4.1034 8.8769 118.8850 55.5697 37.1898 173.8854 157 D 4.5531 8.1975 108.6145 54.5507 37.7745 176.5276 158 E 4.7138 8.5263 117.7644 57.1891 29.8109 177.1449 159 L 4.3300 8.2346 122.3989 58.4894 41.7972 178.5789 160 A 4.2299 8.1271 119.2623 55.2586 18.3551 179.2057 161 I 3.7692 7.7374 117.3578 62.9446 38.4408 176.1085 162 Y 4.9671 7.7848 117.8791 54.5163 38.0787 174.0680 163 P 4.6361 0.0000 0.0000 65.0038 31.6590 178.8021 164 K 3.9271 8.1228 118.1466 59.0641 31.9640 179.1259 165 W 3.8811 8.1873 118.8021 59.6727 28.9232 178.2854 166 Q 4.0105 8.4227 117.8182 59.1007 28.1455 178.9893 167 A 4.0686 8.3301 121.9526 54.8594 18.3150 179.3382 168 L 3.7638 7.8236 118.8028 58.3972 42.1496 179.2310 169 L 4.0706 8.0601 118.8302 58.1564 41.5436 179.7909 170 T 3.8996 8.1381 115.7137 66.5658 68.4310 176.4471 171 E 3.8976 8.3577 121.4004 59.3379 29.6929 179.0736 172 V 3.7191 8.0730 118.4450 65.8349 31.5094 178.1203 173 S 4.1927 8.3858 114.8824 61.7393 62.2527 176.5777 174 A 4.2230 8.1150 124.6621 54.5240 17.8650 179.5211 175 K 3.7712 7.9721 117.2409 58.8070 32.2284 177.6761 176 Y 4.7931 7.8046 115.2016 57.4805 39.3943 176.6737 177 G 3.9086 8.1453 106.9068 45.4797 0.0000 174.2667 178 H 4.4598 8.6114 122.8586 55.8264 29.5131 173.2840 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 23 N 8.28 4.76 0.00 2.67 2.78 0.00 0.00 6.40 6.71 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 24 I 8.16 3.57 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.25 0.91 0.00 0.00 25 E 8.35 4.19 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 26 S 7.90 4.19 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.53 3.86 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.77 0.92 0.00 0.00 28 E 8.38 4.04 0.00 2.18 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 0.00 2.51 2.38 0.00 29 N 7.85 4.66 0.00 2.92 2.90 0.00 0.00 6.96 7.44 0.00 0.00 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 7.84 4.44 0.00 1.79 1.67 0.93 0.73 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 31 Q 7.77 4.22 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 32 G 7.78 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 33 I 7.63 3.78 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.82 0.00 0.00 34 R 8.70 3.88 0.00 1.78 1.78 0.00 3.27 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 35 A 8.78 3.91 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 36 L 7.54 4.44 0.00 1.75 1.58 0.92 0.83 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 37 Q 9.26 4.48 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 38 Q 8.88 4.37 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 39 Q 9.01 4.34 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 40 A 7.50 4.55 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 41 P 0.00 4.29 0.00 2.08 2.17 0.00 3.68 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 2.05 2.15 0.00 42 Q 8.08 5.29 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 43 L 8.00 5.22 0.00 1.81 1.56 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.14 5.15 0.00 1.66 1.58 0.95 0.57 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 45 S 9.02 5.87 0.00 4.06 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 46 S 7.71 4.93 0.00 4.02 3.99 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 47 G 8.48 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 0.00 0.00 0.00 0.00 48 L 8.37 4.34 0.00 1.71 1.55 1.04 0.81 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 49 P 0.00 4.25 0.00 0.49 1.35 0.00 3.41 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 1.64 1.79 0.00 50 N 8.69 4.72 0.00 2.78 2.80 0.00 0.00 6.90 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 51 E 8.90 4.28 0.00 2.06 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 2.42 2.37 0.00 52 Q 8.15 4.08 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 53 Q 8.46 3.94 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 54 F 7.87 4.29 0.00 3.27 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 55 S 8.17 4.22 0.00 4.07 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 56 L 7.68 4.02 0.00 1.77 1.71 0.93 0.56 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 57 L 8.16 3.99 0.00 1.98 1.81 0.95 0.69 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 58 K 8.12 3.94 0.00 1.98 2.02 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.55 7.81 59 Q 8.10 4.03 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 60 A 7.31 4.55 1.41 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 0.00 0.00 0.00 0.00 0.00 61 G 7.90 3.99 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 0.00 0.00 0.00 62 V 7.62 3.77 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 63 D 9.03 4.85 0.00 2.69 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 64 V 7.63 4.67 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 0.92 0.00 0.00 0.90 0.00 0.00 65 V 9.06 4.85 2.29 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 1.35 0.00 0.00 1.12 0.00 0.00 66 I 9.16 4.72 2.02 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 1.05 0.00 0.00 67 N 9.12 4.87 0.00 3.18 2.85 0.00 0.00 6.72 6.38 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 68 L 8.36 5.58 0.00 1.43 1.33 0.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *70 P 0.00 4.64 0.00 2.27 2.09 0.00 3.65 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 71 D 9.35 4.49 0.00 2.70 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 72 S 8.08 4.27 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.10 4.21 0.00 3.89 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 74 K 8.58 4.12 0.00 2.14 1.92 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.03 7.81 75 D 7.84 4.48 0.00 2.65 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 76 A 7.47 4.20 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 77 H 8.39 4.40 0.00 3.19 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.39 0.00 2.02 2.10 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 79 D 7.50 4.57 0.00 2.54 2.38 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 80 E 8.43 3.82 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 81 G 7.17 2.38 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 0.00 82 K 7.75 3.75 0.00 1.90 1.85 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 83 L 7.19 3.79 0.00 1.30 1.50 0.75 0.71 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 84 V 7.08 3.12 1.68 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 0.89 0.00 0.00 0.25 0.00 0.00 85 T 7.96 4.02 4.21 0.00 0.00 0.00 0.00 0.00 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 86 Q 8.09 3.97 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 87 A 7.52 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 88 G 7.72 3.45 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 0.00 *90 D 7.38 4.54 0.00 2.66 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 91 Y 8.60 5.26 0.00 2.82 2.83 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 92 V 8.36 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 93 Y 8.47 4.94 0.00 2.64 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 94 I 8.33 4.44 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.95 0.00 0.00 95 P 0.00 4.67 0.00 1.97 1.75 0.00 3.17 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.50 0.00 96 V 8.22 4.40 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 0.96 0.00 0.00 0.82 0.00 0.00 97 D 8.79 4.60 0.00 2.69 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 98 W 9.14 4.66 0.00 3.40 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 99 Q 8.24 4.14 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 100 N 8.01 4.87 0.00 2.62 2.72 0.00 0.00 7.17 7.12 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 0.00 101 P 0.00 4.20 0.00 1.35 1.12 0.00 3.30 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.00 102 K 8.64 4.52 0.00 1.85 1.65 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.35 7.81 103 V 8.27 3.45 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 1.08 0.00 0.00 0.90 0.00 0.00 104 E 8.09 3.88 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 2.36 2.39 0.00 105 D 7.97 4.35 0.00 3.01 2.92 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 0.00 0.00 0.00 106 V 7.42 2.78 1.74 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 0.16 0.00 0.00 0.08 0.00 0.00 107 E 8.17 3.77 0.00 2.11 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 2.45 2.51 0.00 108 A 8.18 4.00 1.41 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 0.00 0.00 0.00 0.00 0.00 109 F 8.18 4.31 0.00 3.17 3.35 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 0.00 110 F 8.25 4.37 0.00 3.07 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 0.00 111 A 8.53 4.21 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 0.00 112 A 8.08 3.92 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 *114 D 8.09 4.57 0.00 2.65 2.86 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 0.00 115 Q 7.96 4.20 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 116 H 7.61 4.89 0.00 3.25 3.25 0.00 5.83 0.00 0.00 0.00 0.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.13 4.05 0.00 1.92 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 118 G 8.97 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 0.00 119 K 7.69 4.40 0.00 1.90 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.61 7.81 120 D 9.15 4.88 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.90 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 1.07 0.00 0.00 0.94 0.00 0.00 122 L 8.92 5.29 0.00 1.87 1.61 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.85 5.10 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 0.88 0.00 0.00 0.70 0.00 0.00 124 H 9.14 5.55 0.00 3.47 3.47 0.00 5.43 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.69 4.58 0.00 2.90 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.86 4.15 0.00 1.67 1.54 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.28 4.69 1.17 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 0.00 0.00 128 N 8.28 4.29 0.00 2.97 2.83 0.00 0.00 7.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.73 3.49 0.00 2.37 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 0.00 0.00 0.00 130 R 7.89 3.87 0.00 1.77 1.79 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 131 A 7.89 3.86 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 0.00 132 S 8.16 4.25 0.00 4.38 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 0.00 133 A 8.46 4.16 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.96 4.35 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.77 4.41 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 0.00 136 Y 8.51 4.15 0.00 3.17 3.33 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 0.00 137 L 8.33 3.83 0.00 2.11 2.00 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.60 3.69 0.00 3.49 3.41 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 0.00 0.00 0.00 139 Q 8.40 3.69 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.77 0.00 140 L 7.75 3.62 0.00 1.10 1.44 0.66 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.54 3.94 0.00 1.35 1.57 0.00 0.91 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.89 7.81 142 Q 7.28 3.89 0.00 1.70 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.18 0.00 0.00 0.00 0.00 0.00 1.34 1.20 0.00 143 G 7.43 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 0.00 144 Q 7.98 4.05 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 145 N 7.93 4.05 0.00 2.74 2.77 0.00 0.00 7.09 7.69 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 0.00 146 P 0.00 4.45 0.00 2.44 2.22 0.00 3.68 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 147 N 8.37 4.64 0.00 2.78 2.97 0.00 0.00 6.81 7.88 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 *149 A 8.38 4.16 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 0.00 150 Q 8.61 4.11 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.53 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 151 T 7.86 4.24 4.38 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 1.49 0.00 0.00 *153 T 8.02 4.43 4.47 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 0.00 0.00 0.00 1.21 0.00 0.00 154 P 0.00 4.15 0.00 1.85 1.89 0.00 3.73 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 2.00 2.06 0.00 155 W 8.14 3.22 0.00 3.29 3.35 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 0.00 156 N 8.88 4.10 0.00 2.78 3.03 0.00 0.00 7.05 7.99 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 0.00 157 D 8.20 4.55 0.00 2.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.53 4.71 0.00 2.58 2.36 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 2.40 2.66 0.00 159 L 8.23 4.33 0.00 1.58 1.67 0.76 0.77 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 0.00 160 A 8.13 4.23 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 0.00 161 I 7.74 3.77 1.42 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 1.42 0.60 0.24 0.00 0.00 162 Y 7.78 4.97 0.00 3.38 3.07 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 0.00 0.00 0.00 163 P 0.00 4.64 0.00 2.29 2.35 0.00 4.01 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 2.13 1.96 0.00 164 K 8.12 3.93 0.00 1.65 1.70 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.46 7.81 165 W 8.19 3.88 0.00 3.67 3.30 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 0.00 166 Q 8.42 4.01 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 167 A 8.33 4.07 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 0.00 168 L 7.82 3.76 0.00 1.58 1.67 0.72 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.06 4.07 0.00 2.03 1.79 1.23 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.14 3.90 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 1.22 0.00 0.00 171 E 8.36 3.90 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 172 V 8.07 3.72 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 1.26 0.00 0.00 0.93 0.00 0.00 173 S 8.39 4.19 0.00 4.13 3.99 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 0.00 174 A 8.11 4.22 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 0.00 175 K 7.97 3.77 0.00 1.73 1.77 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.46 1.13 7.81 176 Y 7.80 4.79 0.00 3.07 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 0.00 177 G 8.15 3.91 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 0.00 0.00 0.00 178 H 8.61 4.46 0.00 3.26 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.77 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.