NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1142 8.2644 123.5826 51.8386 19.5990 175.4849 *2 E 4.1503 8.4832 115.0449 56.7999 31.1588 175.9104 3 V 4.8819 8.3241 125.6650 61.2808 34.9423 174.1225 4 I 4.4803 8.6560 128.5289 59.8801 38.9466 174.7452 5 R 4.9513 8.5154 125.7156 54.3420 32.6503 176.0357 6 E 4.3313 8.6833 122.5297 55.0401 30.7633 176.1691 7 Q 4.0568 8.4406 121.1037 56.2565 29.4332 175.7070 8 E 4.2554 8.7993 124.3361 57.1421 30.6053 176.0552 9 F 4.7083 9.7271 126.0186 56.4810 41.9820 174.5301 10 V 4.1749 7.8905 127.0668 62.0080 30.4322 175.1579 11 N 4.5804 8.7013 125.3345 55.9393 39.1372 175.5298 12 Q 4.5907 8.2735 118.4765 55.1029 33.5098 172.6497 13 Y 4.9718 8.6525 126.6479 56.6990 42.3126 172.8925 14 H 5.2469 9.0935 124.7518 54.0432 31.9545 172.3218 15 Y 4.9555 8.6603 124.0692 55.8580 40.8704 174.3605 16 D 4.7703 8.2699 125.4787 51.9837 44.6858 175.0069 17 A 4.4198 8.8261 125.2069 52.5648 19.0974 177.1015 18 R 4.0516 8.5132 120.4690 55.9626 31.2564 175.9282 19 N 4.8644 8.6418 121.8355 51.7223 40.2850 175.2038 20 L 4.1508 8.4723 126.7360 57.3931 41.7895 179.0525 21 E 3.9417 8.2938 119.3990 58.8355 29.7041 178.2120 22 W 4.1626 8.7906 128.6401 60.7573 30.6829 177.7931 23 E 4.1827 8.3421 119.7312 58.8178 28.6244 179.0057 24 E 3.8497 7.9907 118.6514 59.0614 29.7365 178.2298 25 E 4.1223 7.7004 117.5832 57.8466 29.8626 177.5574 26 N 4.5349 8.0462 113.3480 51.5174 39.8120 175.4906 27 G 3.9060 7.7236 108.2393 45.6214 0.0000 173.4350 28 T 4.0925 8.0262 118.4568 62.3335 69.0160 173.1081 29 P 4.5158 0.0000 0.0000 62.4570 32.2517 175.5843 30 K 4.5837 8.1414 118.7088 54.4406 34.5958 176.3326 31 T 4.1960 8.4147 120.3448 64.1193 68.9686 173.1507 32 N 5.0417 9.3838 124.0662 52.3816 43.0516 172.8871 33 F 5.4022 8.9856 123.2151 55.7788 42.5374 174.3214 34 E 4.6765 9.3656 122.2573 54.6642 33.0724 174.6618 35 V 4.7289 8.5426 125.2144 61.8471 33.1030 174.7681 36 T 4.7638 8.5520 117.1219 60.0417 72.9232 172.2600 37 F 5.3340 8.6138 118.3720 55.9476 43.1531 175.0777 38 Q 4.5684 9.3583 122.4305 53.8491 30.1594 174.7329 39 L 4.0013 8.6181 126.8420 55.5728 42.2147 175.5304 40 A 4.5456 9.0196 129.6085 52.6856 18.8050 176.8698 41 N 4.9769 7.7174 108.0078 51.4412 41.6932 172.8346 42 R 4.8607 8.4555 118.2022 54.8508 32.1297 176.0265 43 D 4.6683 9.1904 124.2115 52.5805 41.6075 176.5493 44 E 3.9075 8.8780 125.8462 59.2734 29.9944 178.8723 45 A 4.0690 8.2015 119.9981 55.1795 18.5036 178.4450 46 A 4.0849 8.1676 116.7520 52.5515 19.1559 177.0526 47 K 3.8016 8.2322 116.8499 57.9245 31.1619 174.6743 48 V 4.9318 7.5691 116.3727 61.2547 35.1523 174.0628 49 T 5.0103 8.6143 123.6773 62.0092 71.1403 173.2206 50 S 5.2737 9.3073 123.3173 57.0262 64.9302 173.2258 51 I 5.0386 8.5407 124.4184 59.4560 41.5903 174.1568 52 V 4.3838 9.0818 129.3035 61.9597 32.8301 174.6392 53 A 4.6544 8.9299 130.4365 51.1715 20.6468 176.1382 54 V 4.6616 8.1765 120.6146 61.0358 35.0581 173.7878 55 L 5.0564 9.2147 130.7416 53.4222 44.2713 174.4892 56 Q 5.2160 8.9243 128.1330 54.3420 31.6450 174.1609 57 F 5.2740 8.4567 120.0578 55.3246 42.1478 173.4669 58 V 4.7524 8.7394 120.3360 61.3406 34.8589 174.0358 59 I 4.6778 9.3776 129.1952 59.6099 40.1038 174.5144 60 V 4.3953 8.7099 128.5030 61.4521 32.5888 175.1920 61 R 4.5590 8.0421 126.6662 54.0117 33.6557 175.7789 62 D 4.1822 8.5300 117.3648 57.6491 40.8330 177.7620 63 E 4.4951 7.7570 116.3919 56.5856 30.9026 175.0448 64 F 5.1926 6.8640 112.6787 55.4645 42.0869 173.2903 65 V 4.8359 8.8359 119.4831 61.2007 34.4432 174.0997 66 I 5.1304 9.0536 128.7026 59.7129 39.9282 174.8072 67 S 4.7212 8.9496 119.6120 56.4081 67.0780 174.4447 68 G 3.2597 5.7384 106.3151 44.7590 0.0000 170.8163 69 V 4.9475 7.5940 118.5501 61.5030 35.1666 175.1765 70 I 5.3398 9.2680 128.4893 59.7543 40.7316 174.6389 71 S 5.1218 9.4308 118.7630 57.5512 66.8325 172.3482 72 Q 4.2885 8.8112 121.7978 55.5524 34.1109 172.5256 *74 A 4.2528 8.6043 117.5028 52.1901 20.7710 175.8216 75 H 5.2135 9.1627 119.9120 54.0411 30.8630 173.2025 76 I 4.5200 9.0755 125.8986 60.9109 38.1809 175.4295 77 Q 4.5141 9.1322 127.2766 55.1527 30.1124 175.9443 78 G 3.8501 9.2764 110.2948 45.9722 0.0000 173.7381 79 R 4.3794 8.3775 119.7406 54.9520 32.9935 173.7816 80 L 4.6512 8.5104 125.8468 53.1059 43.0841 175.9688 81 I 4.5497 8.2596 124.1578 59.6169 40.4627 175.0967 82 N 4.7061 9.3306 121.7612 54.3425 39.9981 175.1849 83 E 4.6397 7.5426 113.6304 54.1705 32.2097 174.1891 84 P 3.5714 0.0000 0.0000 64.8222 31.6820 178.4131 85 S 4.1442 7.8618 113.0041 60.6889 62.9300 174.8410 86 E 4.0811 7.7042 119.5653 57.3850 29.5339 176.7547 87 F 4.8752 7.6336 119.4881 56.5775 39.8437 176.4058 88 S 4.4226 9.0001 120.6398 58.1469 64.7816 175.5298 89 Q 4.0283 8.6359 121.4391 59.4562 28.4737 178.9488 90 D 4.3664 8.1372 119.1573 57.6148 40.8373 178.7342 91 E 3.9555 8.4520 119.1131 59.1951 29.3463 179.6034 92 V 3.5621 7.8186 118.3621 65.9589 31.6302 177.8855 93 E 3.8824 8.3151 118.4342 59.3463 29.0934 178.7181 94 N 4.1969 8.2458 116.0138 56.9619 39.1246 176.6381 95 L 4.0671 7.8189 118.5026 57.3974 41.9849 178.7700 96 A 4.1986 8.3091 119.6732 53.2339 18.8621 179.0969 97 A 3.8160 7.8223 120.1611 55.0873 18.5475 178.1809 98 P 4.2644 0.0000 0.0000 65.3037 31.4545 178.9910 99 L 4.0061 7.7633 117.8401 57.7715 41.6606 179.1975 100 L 3.7696 7.7080 118.9414 57.5311 41.3267 179.2070 101 E 4.0556 8.0774 119.0751 59.2580 29.4752 178.8575 102 I 3.6747 7.6232 119.4883 64.3548 37.1578 178.5734 103 V 3.5082 7.5808 118.6420 65.6507 31.2465 178.0150 104 K 4.0301 8.5483 119.8074 59.5983 32.2535 178.8046 105 R 3.8881 8.2908 118.6178 59.4200 29.9808 178.9115 106 L 3.7634 7.9774 118.7040 58.1269 41.4486 179.9554 107 T 4.4620 7.9825 116.7696 66.2629 68.4352 175.9962 108 Y 4.3975 8.1171 122.9076 60.2877 38.7213 178.3183 109 E 3.9725 8.2030 118.8771 59.3011 29.5217 179.5560 110 V 3.4230 7.9467 118.7050 66.2029 31.6395 178.2592 111 T 3.6263 7.9052 109.6506 64.5495 67.9623 176.0654 112 E 4.1622 7.7907 123.5361 58.4815 29.0952 178.9809 113 I 3.6617 7.4332 119.2508 64.3187 37.0956 178.2830 114 A 3.6975 7.9141 120.5357 54.2691 18.2572 178.6810 115 L 4.4649 7.7633 113.9548 53.0141 43.8515 176.0511 116 D 4.3201 7.2198 117.2202 53.6158 39.5510 171.5877 117 R 4.4015 7.5989 119.2732 54.4906 34.1230 171.8495 118 P 4.3319 0.0000 0.0000 61.9592 31.8071 176.9776 119 G 2.8083 7.8222 111.1365 45.3831 0.0000 173.2832 120 V 3.6411 8.4655 123.4455 62.8653 32.0340 175.1154 121 T 4.7318 8.3327 123.8899 61.4991 69.2429 174.0885 122 L 4.0201 8.3847 127.3386 54.4543 42.2551 176.7364 123 E 4.3304 8.2221 121.8526 54.3664 32.6637 176.0417 124 F 4.4806 8.4191 119.0546 57.7095 39.3174 175.6779 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 0 A 8.26 4.11 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 *2 E 8.48 4.15 0.00 2.10 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 2.28 2.32 0.00 3 V 8.32 4.88 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 0.88 0.00 0.00 0.91 0.00 0.00 4 I 8.66 4.48 1.92 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 1.24 0.54 0.94 0.00 0.00 5 R 8.52 4.95 0.00 1.67 1.82 0.00 3.20 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 6 E 8.68 4.33 0.00 1.98 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 2.39 2.31 0.00 7 Q 8.44 4.06 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 8 E 8.80 4.26 0.00 1.89 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 2.41 0.00 9 F 9.73 4.71 0.00 3.08 3.03 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 10 V 7.89 4.17 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 0.85 0.00 0.00 0.85 0.00 0.00 11 N 8.70 4.58 0.00 2.86 2.97 0.00 0.00 6.89 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 12 Q 8.27 4.59 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 13 Y 8.65 4.97 0.00 3.18 2.81 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 14 H 9.09 5.25 0.00 3.02 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.66 4.96 0.00 2.97 2.81 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 16 D 8.27 4.77 0.00 2.41 2.33 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 17 A 8.83 4.42 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 18 R 8.51 4.05 0.00 1.68 1.87 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.40 0.00 19 N 8.64 4.86 0.00 2.70 2.76 0.00 0.00 7.23 6.66 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 20 L 8.47 4.15 0.00 1.79 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.29 3.94 0.00 2.11 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 2.41 2.46 0.00 22 W 8.79 4.16 0.00 3.48 3.24 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 23 E 8.34 4.18 0.00 2.25 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 2.48 2.58 0.00 24 E 7.99 3.85 0.00 2.01 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 2.30 2.35 0.00 25 E 7.70 4.12 0.00 1.84 1.79 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 2.44 2.43 0.00 26 N 8.05 4.53 0.00 1.44 2.16 0.00 0.00 7.31 7.49 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 27 G 7.72 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 28 T 8.03 4.09 4.22 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 1.20 0.00 0.00 29 P 0.00 4.52 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 30 K 8.14 4.58 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.41 7.81 31 T 8.41 4.20 4.29 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 1.29 0.00 0.00 32 N 9.38 5.04 0.00 2.74 2.54 0.00 0.00 6.58 8.14 0.00 0.00 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 F 8.99 5.40 0.00 2.89 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 34 E 9.37 4.68 0.00 1.98 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 2.24 2.39 0.00 35 V 8.54 4.73 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 0.43 0.00 0.00 0.88 0.00 0.00 36 T 8.55 4.76 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 37 F 8.61 5.33 0.00 3.05 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 38 Q 9.36 4.57 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 39 L 8.62 4.00 0.00 1.69 1.61 0.98 1.07 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 40 A 9.02 4.55 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 41 N 7.72 4.98 0.00 2.73 2.90 0.00 0.00 5.91 7.66 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 42 R 8.46 4.86 0.00 1.70 1.88 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 43 D 9.19 4.67 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 44 E 8.88 3.91 0.00 1.97 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 2.31 2.37 0.00 45 A 8.20 4.07 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 46 A 8.17 4.08 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 47 K 8.23 3.80 0.00 1.95 1.85 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.36 7.81 48 V 7.57 4.93 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 1.05 0.00 0.00 nan 0.00 0.00 49 T 8.61 5.01 4.29 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 1.23 0.00 0.00 50 S 9.31 5.27 0.00 3.76 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 5.04 1.98 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 1.46 1.07 1.06 0.00 0.00 52 V 9.08 4.38 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 0.72 0.00 0.00 0.94 0.00 0.00 53 A 8.93 4.65 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 4.66 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 1.01 0.00 0.00 0.91 0.00 0.00 55 L 9.21 5.06 0.00 1.75 1.59 1.04 0.43 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 56 Q 8.92 5.22 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 57 F 8.46 5.27 0.00 2.71 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 58 V 8.74 4.75 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 0.92 0.00 0.00 0.83 0.00 0.00 59 I 9.38 4.68 2.05 0.00 0.00 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 1.14 0.47 1.08 0.00 0.00 60 V 8.71 4.40 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 0.68 0.00 0.00 0.93 0.00 0.00 61 R 8.04 4.56 0.00 0.67 1.27 0.00 3.28 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.68 0.00 62 D 8.53 4.18 0.00 2.56 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 63 E 7.76 4.50 0.00 2.23 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 2.35 2.32 0.00 64 F 6.86 5.19 0.00 2.52 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 65 V 8.84 4.84 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 0.94 0.00 0.00 0.88 0.00 0.00 66 I 9.05 5.13 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.80 0.00 0.00 67 S 8.95 4.72 0.00 3.56 3.74 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 68 G 5.74 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.59 4.95 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 1.03 0.00 0.00 0.82 0.00 0.00 70 I 9.27 5.34 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 1.02 0.00 0.00 71 S 9.43 5.12 0.00 3.92 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 72 Q 8.81 4.29 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 *74 A 8.60 4.25 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 75 H 9.16 5.21 0.00 3.12 3.24 0.00 5.61 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 76 I 9.08 4.52 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.96 0.00 0.00 77 Q 9.13 4.51 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 78 G 9.28 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.38 4.38 0.00 1.85 1.81 0.00 3.30 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 80 L 8.51 4.65 0.00 1.64 1.56 0.91 0.88 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 81 I 8.26 4.55 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.46 0.00 0.00 82 N 9.33 4.71 0.00 2.71 2.80 0.00 0.00 6.80 7.64 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 83 E 7.54 4.64 0.00 2.03 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 2.31 2.19 0.00 84 P 0.00 3.57 0.00 2.41 2.30 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 85 S 7.86 4.14 0.00 3.98 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 86 E 7.70 4.08 0.00 1.70 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 87 F 7.63 4.88 0.00 3.06 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 88 S 9.00 4.42 0.00 4.09 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 89 Q 8.64 4.03 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 90 D 8.14 4.37 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 91 E 8.45 3.96 0.00 2.19 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 2.32 2.32 0.00 92 V 7.82 3.56 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 1.23 0.00 0.00 1.16 0.00 0.00 93 E 8.32 3.88 0.00 2.24 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 2.29 2.39 0.00 94 N 8.25 4.20 0.00 2.67 3.01 0.00 0.00 7.32 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 95 L 7.82 4.07 0.00 1.80 1.80 -0.02 0.63 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 96 A 8.31 4.20 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 97 A 7.82 3.82 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 98 P 0.00 4.26 0.00 2.29 2.11 0.00 3.72 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 2.20 2.16 0.00 99 L 7.76 4.01 0.00 1.75 1.71 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.71 3.77 0.00 1.36 0.73 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.08 4.06 0.00 2.13 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 2.39 0.00 102 I 7.62 3.67 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 1.60 0.80 0.87 0.00 0.00 103 V 7.58 3.51 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 0.66 0.00 0.00 0.36 0.00 0.00 104 K 8.55 4.03 0.00 2.17 2.06 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 105 R 8.29 3.89 0.00 1.93 1.92 0.00 3.30 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 106 L 7.98 3.76 0.00 1.16 0.41 0.55 0.74 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 0.00 107 T 7.98 4.46 4.52 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 1.35 0.00 0.00 108 Y 8.12 4.40 0.00 3.01 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 0.00 109 E 8.20 3.97 0.00 2.04 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 2.62 2.47 0.00 110 V 7.95 3.42 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 0.78 0.00 0.00 0.97 0.00 0.00 111 T 7.91 3.63 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 112 E 7.79 4.16 0.00 1.79 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 2.02 0.00 113 I 7.43 3.66 1.74 0.00 0.00 0.80 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 0.60 0.82 0.00 0.00 114 A 7.91 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.76 4.46 0.00 1.74 1.74 1.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.22 4.32 0.00 2.58 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 0.00 117 R 7.60 4.40 0.00 1.99 1.65 0.00 3.17 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 118 P 0.00 4.33 0.00 2.05 1.96 0.00 3.73 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 2.02 2.07 0.00 119 G 7.82 2.81 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 0.00 120 V 8.47 3.64 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 1.12 0.00 0.00 1.11 0.00 0.00 121 T 8.33 4.73 4.29 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 1.19 0.00 0.00 122 L 8.38 4.02 0.00 1.22 0.93 1.17 1.02 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 0.00 123 E 8.22 4.33 0.00 1.80 1.70 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 2.08 2.16 0.00 124 F 8.42 4.48 0.00 2.87 2.56 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.