NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4557 8.1633 120.3493 55.2732 34.2088 177.3572 2 V 3.5623 7.6655 111.9325 63.8578 31.7272 176.3399 3 R 4.1604 8.0880 117.5637 57.5289 31.8702 177.9350 4 R 4.0024 7.7817 117.9484 58.9920 30.3560 178.0982 5 I 3.8831 7.6678 119.0987 64.1377 36.9819 178.3452 6 E 3.9652 7.9462 119.6401 59.3909 29.2213 178.6737 7 D 4.3488 7.8129 117.8612 57.6701 41.2149 178.1778 8 H 4.3410 8.1119 116.2361 58.9474 28.7025 177.7427 9 I 3.7343 7.7776 121.5736 64.5360 36.9532 178.6097 10 S 4.1104 8.2500 115.8501 61.5977 62.6369 176.4259 11 F 4.0379 8.5069 123.5146 61.3068 39.1310 176.8004 12 L 3.7652 8.4790 120.1697 58.2409 41.8066 178.8865 13 E 3.9465 8.4492 118.8901 59.2423 29.3442 179.1853 14 K 3.8402 8.5585 120.0452 59.2522 32.1188 178.6825 15 F 3.8323 7.9916 121.1985 61.1065 39.2930 177.1240 16 I 3.6071 7.7609 119.3588 64.5822 36.9638 178.1715 17 N 4.3083 8.2084 117.2507 56.4137 38.2500 177.1803 18 D 4.2735 8.2457 120.6365 57.2590 40.8577 179.0910 19 V 3.3482 7.5303 118.7527 65.9852 31.5267 177.8812 20 N 4.3466 8.4758 116.6459 56.4366 38.3454 177.5197 21 T 3.7934 8.3749 117.4128 66.6259 68.6409 176.3782 22 L 3.9194 8.0384 122.3025 58.5146 41.9466 179.0588 23 T 3.8448 8.3950 115.8174 66.4798 68.1282 176.3992 24 A 4.0073 7.7957 121.5456 55.2764 18.9035 179.5801 25 K 4.0777 7.9789 116.9408 59.6071 31.8657 179.6891 26 L 4.1233 7.9429 118.4056 56.8821 41.7607 178.4216 27 L 4.4942 7.5723 117.1104 54.5278 42.0486 178.2366 28 K 3.9212 7.6316 120.5141 59.7800 32.0757 178.3415 29 D 4.3965 8.0503 118.6442 57.1725 40.8274 178.3611 30 L 4.1166 7.9049 120.5269 58.2073 42.2430 178.8372 31 Q 4.0923 8.5459 118.3839 59.3456 28.6641 178.9201 32 T 3.9251 8.1580 116.8090 66.6386 68.2680 176.3893 33 E 4.0244 8.5035 120.6441 59.0190 29.7655 177.5771 34 Y 4.2305 8.0527 114.3496 57.4343 38.3494 176.3307 35 G 3.9115 7.9592 108.3656 45.5193 0.0000 173.1391 36 I 4.4998 7.6107 111.8637 58.3966 40.4194 175.5450 37 S 4.6080 8.0382 115.9429 56.7129 66.0789 174.8904 38 A 3.9779 8.3253 123.4243 55.6663 17.7946 179.8557 39 E 3.8597 8.0654 116.0759 59.2902 29.3851 179.1810 40 Q 4.0871 7.6954 116.8999 58.0761 28.8400 178.3443 41 S 3.9496 7.8142 115.6501 61.5147 63.0337 176.2767 42 H 4.2871 8.0002 119.9804 58.6887 28.4769 177.9032 43 V 3.6581 7.3754 120.2048 65.7403 31.0789 178.2243 44 L 3.9737 7.4306 117.9506 57.7265 41.8015 178.4839 45 N 4.4509 8.4468 116.8876 57.0953 38.5799 176.7963 46 M 4.0098 8.0822 119.3034 58.7600 31.9932 178.8322 47 L 4.5302 7.6610 118.9605 56.6538 41.9209 179.1985 48 S 4.2810 7.8369 112.5953 60.6582 62.3352 175.3097 49 I 4.0040 8.0300 122.6548 63.3455 37.1596 175.8673 50 E 4.6606 7.6438 116.2554 54.3246 32.1366 173.8498 51 A 4.2531 8.5745 123.7161 52.4964 19.1858 176.4892 52 L 5.0423 8.5968 121.5382 53.1019 46.6057 175.0761 53 T 4.9873 8.1089 108.1072 59.3487 72.2607 175.2403 54 V 3.8014 8.6752 120.6960 65.4712 30.8480 178.0195 55 G 3.5359 8.1625 105.6726 48.1912 0.0000 175.6629 56 Q 4.0419 7.9963 120.6438 58.4121 28.8972 178.9441 57 I 3.7049 7.5320 120.1593 64.9847 37.1301 178.6017 58 T 3.9110 7.7271 115.9905 67.2677 67.7611 175.8046 59 E 4.0457 8.1151 120.4041 58.2631 29.1012 179.0239 60 K 3.8519 8.0065 120.4087 60.1001 32.6429 178.4758 61 Q 4.0925 7.6593 117.8911 61.0346 29.4361 175.6622 62 G 3.9421 8.2579 106.3521 43.0286 0.0000 176.6860 63 V 3.7599 8.3996 117.1476 62.1739 29.9558 174.7067 64 N 4.5867 7.7006 115.6587 52.9841 40.8352 174.7336 65 K 4.1175 8.5990 121.7163 58.2220 32.7868 177.9412 66 A 4.6263 7.7871 117.6135 51.1604 20.1408 177.1453 67 A 4.1108 7.9236 117.8705 54.0284 18.5777 179.8124 68 V 3.7231 7.6216 117.6029 64.5788 32.0839 178.3285 69 S 4.1156 7.9989 113.2673 60.9838 62.1469 176.3201 70 R 3.8677 7.7302 120.7392 59.4657 29.9487 179.0813 71 R 3.8971 7.6324 117.0473 59.3075 30.0024 179.4376 72 V 3.5521 7.8483 118.0240 65.7473 31.5804 178.0185 73 K 3.8505 7.9284 118.2461 59.7288 31.9977 179.2965 74 K 3.9503 8.1690 118.4445 59.6211 32.0350 179.4400 75 L 4.0430 7.8638 119.1785 57.6097 41.1751 179.4527 76 L 4.0334 8.5082 119.4437 57.8487 41.3177 179.1885 77 N 4.5128 8.1543 115.1733 55.5488 38.6783 176.6974 78 A 4.1773 7.5529 119.8537 52.3171 18.6774 177.5134 79 E 3.8331 7.5911 114.2978 57.1149 27.4712 175.2390 80 L 4.4804 7.8336 120.8839 55.6968 43.3679 176.8463 81 V 4.8535 7.7011 116.6045 61.0921 34.4326 174.8980 82 K 4.6756 9.1827 124.5653 54.9870 35.8099 175.6424 83 L 5.1475 8.3266 125.5280 52.5643 43.8334 175.8456 *95 K 4.0553 7.9478 117.3916 56.6969 32.9245 175.3664 96 I 4.1984 8.0524 121.6406 61.1514 38.2473 175.1550 97 I 4.5884 8.7540 130.1421 59.9838 38.6639 175.5090 98 K 5.1027 9.0882 126.3122 54.3489 36.4732 175.2223 99 L 4.9277 8.4347 120.6058 54.2539 43.1963 176.9896 100 S 4.7518 8.7423 117.2453 56.9444 65.2008 174.7615 101 N 4.4076 8.7746 116.1982 55.5211 37.9150 177.0417 102 K 4.3366 8.2238 121.4563 58.5862 32.5893 178.7799 103 G 3.6954 7.9601 105.8181 47.5147 0.0000 175.7996 104 K 4.1407 8.4735 120.9082 58.9297 32.1712 179.3640 105 K 4.0430 7.8386 119.3238 59.3031 32.0633 178.3850 106 Y 3.6494 7.7296 120.1804 60.5092 38.5704 177.7909 107 I 3.5047 7.7038 120.4865 64.1613 37.1547 178.6533 108 K 3.9477 8.1573 119.4893 59.4227 31.9830 179.3534 109 E 3.9253 7.9725 118.6121 59.0056 29.2709 179.4209 110 R 3.6094 7.4132 119.0742 59.1846 30.0265 178.6876 111 K 3.9148 8.2279 118.4749 59.3435 32.1222 179.2312 112 A 4.0801 7.9814 122.4122 54.5643 18.2024 179.7997 113 I 3.5892 7.5657 118.1183 64.7557 37.1908 178.6554 114 M 4.0606 7.9538 119.7188 58.3011 31.5586 178.8859 115 S 4.1304 8.2612 114.5585 61.9873 63.1517 176.3348 116 H 4.2194 8.2505 119.5465 58.3771 28.4159 177.9917 117 I 3.7152 7.6997 121.0473 64.3658 36.8010 178.2506 118 A 4.0679 8.3914 120.7736 55.2873 18.4026 179.5397 119 S 4.2559 8.5455 113.1547 61.6581 62.7866 176.3627 120 D 4.3788 8.0170 122.0354 57.3588 40.4012 177.9598 121 M 4.5488 7.9342 115.7955 56.5029 32.4005 176.8165 122 T 4.9958 7.6337 113.5255 62.7617 70.9820 175.8904 123 S 4.1705 8.4083 116.6261 61.1386 62.7357 175.1855 124 D 4.5025 7.8320 117.5835 53.8181 39.8718 176.4280 125 F 4.5768 7.8382 119.1579 56.7152 39.9731 174.7518 126 D 4.5636 9.6762 123.9732 53.8260 41.8769 177.3374 127 S 4.1612 9.0319 122.0160 61.8255 62.7489 176.8124 128 K 4.9160 8.2696 122.7166 58.5643 32.4597 179.1816 129 E 3.9508 8.3751 120.8887 59.4037 29.3965 179.0267 130 I 3.5886 7.6198 119.3392 64.4081 37.2279 178.2012 131 E 3.9275 8.3025 119.4403 59.1273 29.2350 179.3285 132 K 3.9117 7.9351 119.5638 59.3392 32.2644 179.0854 133 V 3.4798 7.5225 118.1411 65.8934 31.3978 177.8689 134 R 3.8627 8.1694 118.7265 59.6554 29.8890 178.5079 135 Q 3.9591 8.3945 118.1339 58.9478 28.7133 178.9407 136 V 3.5722 7.8136 119.2702 66.0182 31.5125 178.1481 137 L 4.0694 8.0353 118.7183 57.5794 41.3543 179.3381 138 E 4.0118 8.5850 119.3028 59.3401 29.4927 179.1198 139 I 3.7613 7.9629 118.7820 63.9835 37.9188 178.1372 140 I 3.7414 7.8749 120.8278 64.4248 36.9297 177.8523 141 D 4.3293 8.5335 119.3546 57.3034 41.0282 177.3621 142 Y 4.1890 8.4684 120.5276 61.1844 38.6805 178.7087 143 R 3.9142 8.1168 118.4524 59.0629 30.0298 179.2558 144 I 3.6822 8.1462 120.0231 64.6242 36.8656 178.3706 145 Q 3.9701 8.2115 118.9597 59.2085 28.0562 179.1619 146 S 3.9648 8.0433 113.9167 60.9730 62.3722 175.5668 147 Y 3.7389 7.6834 122.2331 60.6687 38.5724 177.4361 148 T 4.1855 8.1657 115.0266 65.8202 68.5142 176.4247 149 S 4.2174 7.5164 114.8898 61.1675 62.5220 175.9585 150 K 4.0080 7.0366 119.5240 59.3030 31.9821 177.1046 151 L 4.3375 7.1299 121.8159 54.5462 43.7316 173.4241 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 1 M 8.16 4.46 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 V 7.67 3.56 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 0.71 0.00 0.00 0.93 0.00 0.00 3 R 8.09 4.16 0.00 1.87 1.96 0.00 3.11 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 1.71 1.61 0.00 4 R 7.78 4.00 0.00 1.84 1.91 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 5 I 7.67 3.88 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.93 0.00 0.00 6 E 7.95 3.97 0.00 2.08 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 2.34 2.44 0.00 7 D 7.81 4.35 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.11 4.34 0.00 3.45 3.35 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 9 I 7.78 3.73 2.04 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 0.82 0.92 0.00 0.00 10 S 8.25 4.11 0.00 4.04 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 11 F 8.51 4.04 0.00 3.21 3.37 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 12 L 8.48 3.77 0.00 1.93 1.86 0.94 1.01 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 13 E 8.45 3.95 0.00 2.19 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 2.31 2.38 0.00 14 K 8.56 3.84 0.00 1.80 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.41 7.81 15 F 7.99 3.83 0.00 2.49 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 16 I 7.76 3.61 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.50 0.88 0.00 0.00 17 N 8.21 4.31 0.00 2.66 2.81 0.00 0.00 7.10 7.77 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 18 D 8.25 4.27 0.00 2.52 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 19 V 7.53 3.35 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 0.38 0.00 0.00 20 N 8.48 4.35 0.00 2.67 2.81 0.00 0.00 7.07 6.98 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 21 T 8.37 3.79 4.33 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 1.18 0.00 0.00 22 L 8.04 3.92 0.00 1.68 1.67 0.90 1.12 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 23 T 8.40 3.84 4.42 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 1.21 0.00 0.00 24 A 7.80 4.01 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 25 K 7.98 4.08 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 26 L 7.94 4.12 0.00 1.62 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.57 4.49 0.00 1.66 1.74 0.94 0.92 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 28 K 7.63 3.92 0.00 1.95 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 29 D 8.05 4.40 0.00 2.75 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 30 L 7.90 4.12 0.00 1.78 1.86 1.02 0.24 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 31 Q 8.55 4.09 0.00 2.37 2.33 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 2.39 2.65 0.00 32 T 8.16 3.93 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 1.23 0.00 0.00 33 E 8.50 4.02 0.00 2.16 2.37 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 2.39 2.40 0.00 34 Y 8.05 4.23 0.00 3.20 2.97 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 35 G 7.96 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 36 I 7.61 4.50 1.75 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.88 0.00 0.00 37 S 8.04 4.61 0.00 4.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 3.98 1.30 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 0.00 0.00 39 E 8.07 3.86 0.00 2.03 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 2.40 2.48 0.00 40 Q 7.70 4.09 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 S 7.81 3.95 0.00 3.89 4.20 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 42 H 8.00 4.29 0.00 3.35 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.38 3.66 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 1.02 0.00 0.00 0.93 0.00 0.00 44 L 7.43 3.97 0.00 1.77 1.75 0.51 1.44 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 45 N 8.45 4.45 0.00 2.99 2.93 0.00 0.00 7.06 7.41 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 46 M 8.08 4.01 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 47 L 7.66 4.53 0.00 1.77 1.76 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.84 4.28 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.03 4.00 2.03 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 1.37 0.94 0.92 0.00 0.00 50 E 7.64 4.66 0.00 2.10 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 0.00 2.27 2.31 0.00 51 A 8.57 4.25 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 52 L 8.60 5.04 0.00 1.58 1.57 0.93 0.55 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 53 T 8.11 4.99 4.34 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 1.30 0.00 0.00 54 V 8.68 3.80 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 1.04 0.00 0.00 0.93 0.00 0.00 55 G 8.16 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.00 4.04 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 57 I 7.53 3.70 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 1.53 1.11 0.91 0.00 0.00 58 T 7.73 3.91 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 1.29 0.00 0.00 59 E 8.12 4.05 0.00 2.15 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 2.57 2.50 0.00 60 K 8.01 3.85 0.00 1.74 1.91 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.76 7.81 61 Q 7.66 4.09 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.34 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 62 G 8.26 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.40 3.76 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 0.74 0.00 0.00 0.93 0.00 0.00 64 N 7.70 4.59 0.00 2.64 2.70 0.00 0.00 7.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.60 4.12 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 66 A 7.79 4.63 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.92 4.11 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 68 V 7.62 3.72 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 0.81 0.00 0.00 0.93 0.00 0.00 69 S 8.00 4.12 0.00 3.91 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.73 3.87 0.00 2.03 1.95 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 71 R 7.63 3.90 0.00 1.90 1.97 0.00 3.26 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 V 7.85 3.55 2.26 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 0.87 0.00 0.00 1.01 0.00 0.00 73 K 7.93 3.85 0.00 2.02 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.85 7.81 74 K 8.17 3.95 0.00 1.94 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 75 L 7.86 4.04 0.00 1.85 1.69 0.93 0.62 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 76 L 8.51 4.03 0.00 1.93 1.71 0.92 0.66 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 77 N 8.15 4.51 0.00 2.70 2.87 0.00 0.00 7.03 6.63 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 78 A 7.55 4.18 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 79 E 7.59 3.83 0.00 2.21 2.14 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 2.22 2.26 0.00 80 L 7.83 4.48 0.00 1.62 1.71 0.91 0.84 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 81 V 7.70 4.85 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 0.77 0.00 0.00 0.93 0.00 0.00 82 K 9.18 4.68 0.00 1.77 1.57 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.42 7.81 83 L 8.33 5.15 0.00 1.67 1.58 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *95 K 7.95 4.06 0.00 1.77 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 96 I 8.05 4.20 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 1.35 0.75 0.91 0.00 0.00 97 I 8.75 4.59 1.98 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 1.21 0.91 0.00 0.00 98 K 9.09 5.10 0.00 1.64 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 99 L 8.43 4.93 0.00 1.55 1.62 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.74 4.75 0.00 3.89 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 0.00 101 N 8.77 4.41 0.00 2.86 2.94 0.00 0.00 6.42 7.48 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 0.00 102 K 8.22 4.34 0.00 1.89 2.02 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.50 7.81 103 G 7.96 3.70 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 0.00 0.00 0.00 104 K 8.47 4.14 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 105 K 7.84 4.04 0.00 2.09 2.16 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.53 7.81 106 Y 7.73 3.65 0.00 2.13 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 0.00 107 I 7.70 3.50 1.99 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 1.86 0.89 0.89 0.00 0.00 108 K 8.16 3.95 0.00 1.74 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.62 7.81 109 E 7.97 3.93 0.00 1.84 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 2.32 2.50 0.00 110 R 7.41 3.61 0.00 1.14 1.74 0.00 2.96 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 111 K 8.23 3.91 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.60 7.81 112 A 7.98 4.08 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 0.00 113 I 7.57 3.59 1.92 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 1.46 1.37 0.88 0.00 0.00 114 M 7.95 4.06 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.80 0.00 115 S 8.26 4.13 0.00 4.05 4.20 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 0.00 116 H 8.25 4.22 0.00 3.31 3.42 0.00 5.81 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 0.00 117 I 7.70 3.72 2.00 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 1.66 0.90 0.92 0.00 0.00 118 A 8.39 4.07 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 0.00 119 S 8.55 4.26 0.00 4.04 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 0.00 120 D 8.02 4.38 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 7.93 4.55 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 122 T 7.63 5.00 4.62 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 1.32 0.00 0.00 123 S 8.41 4.17 0.00 3.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.83 4.50 0.00 2.61 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 0.00 125 F 7.84 4.58 0.00 3.27 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 0.00 126 D 9.68 4.56 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 9.03 4.16 0.00 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.27 4.92 0.00 2.03 2.11 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.33 7.81 129 E 8.38 3.95 0.00 2.17 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 2.35 2.38 0.00 130 I 7.62 3.59 2.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.01 0.88 0.00 0.00 131 E 8.30 3.93 0.00 2.00 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 2.32 2.47 0.00 132 K 7.94 3.91 0.00 1.98 1.74 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.55 7.81 133 V 7.52 3.48 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 0.82 0.00 0.00 0.76 0.00 0.00 134 R 8.17 3.86 0.00 1.98 2.09 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 135 Q 8.39 3.96 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 136 V 7.81 3.57 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 0.99 0.00 0.00 0.93 0.00 0.00 137 L 8.04 4.07 0.00 1.85 1.69 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.59 4.01 0.00 2.12 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 2.34 2.51 0.00 139 I 7.96 3.76 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.96 0.00 0.00 140 I 7.87 3.74 2.02 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 1.41 0.74 0.92 0.00 0.00 141 D 8.53 4.33 0.00 2.85 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 0.00 142 Y 8.47 4.19 0.00 3.16 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 0.00 143 R 8.12 3.91 0.00 2.13 2.02 0.00 3.25 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.07 0.00 144 I 8.15 3.68 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.90 0.00 0.00 145 Q 8.21 3.97 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 146 S 8.04 3.96 0.00 3.62 3.86 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 0.00 147 Y 7.68 3.74 0.00 3.19 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.17 4.19 4.28 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 1.24 0.00 0.00 149 S 7.52 4.22 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.04 4.01 0.00 1.45 1.66 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.34 7.81 151 L 7.13 4.34 0.00 1.71 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.