NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0986 8.2649 123.5770 52.1106 20.0253 174.9273 *2 H 4.6668 8.3827 112.0604 56.1591 30.6669 172.8464 3 Q 4.5543 9.4411 123.9686 54.9934 29.7554 175.1645 4 V 4.3604 8.3734 126.1119 61.0149 33.4811 174.6583 5 I 4.3537 8.3890 130.6070 60.5261 38.5627 174.9053 6 S 4.9149 8.8548 123.1536 56.0519 63.6057 174.4364 7 A 4.7279 8.4980 134.2974 50.6817 16.4996 176.7495 8 T 4.2521 7.1793 112.5727 61.9208 71.4170 173.8160 9 T 4.4204 8.6367 116.0234 61.2582 69.6702 174.1868 10 N 4.4664 8.1952 122.5005 53.2075 39.7496 173.7321 11 P 4.2657 0.0000 0.0000 65.4607 31.4058 178.5136 12 A 3.9968 8.4431 119.9195 55.0756 18.3071 179.8962 13 K 4.1387 8.2879 116.5197 59.7953 32.2072 179.5107 14 I 3.7434 7.9665 120.1328 64.3499 36.9330 178.3403 15 Q 3.9545 8.2020 120.2895 59.0289 28.9282 178.0500 16 A 4.1810 7.9434 121.5781 55.2499 18.3971 179.7227 17 I 3.8251 7.9985 118.2570 64.4490 37.2508 178.2219 18 L 3.9701 8.2330 121.4648 58.5171 41.9326 179.0842 19 Q 4.0789 8.3962 117.5668 58.9054 28.7728 178.7504 20 A 4.0139 8.4534 121.7528 55.3440 18.3801 179.7334 21 F 3.9460 8.6938 116.5012 60.7412 38.9681 177.8446 22 E 4.2408 8.6394 118.3979 59.2865 29.0166 178.9649 23 E 3.9779 8.2129 118.7823 59.1711 29.7762 178.6068 24 I 3.6112 7.2990 118.5364 63.4685 37.3957 177.4669 25 F 4.7991 7.8852 115.9048 55.7770 40.4437 176.3752 26 G 4.1509 7.6931 106.9195 44.0785 0.0000 173.0212 27 E 4.0921 8.6485 122.0521 57.4107 29.9940 177.0848 28 G 3.9690 9.1660 113.7388 46.3171 0.0000 174.3605 29 S 4.5113 8.0024 114.5978 58.7395 63.9489 173.9841 30 C 5.1128 7.9574 117.7273 58.0099 31.2795 172.7441 31 H 4.8045 9.0831 123.0059 54.5134 31.6937 172.7419 32 I 4.4836 8.0951 126.7203 60.2653 38.6682 175.3530 33 T 4.3575 8.4254 124.4423 61.0532 70.0322 172.0508 34 P 4.8446 0.0000 0.0000 62.5382 31.8959 176.6970 35 V 4.5760 8.8013 116.2229 59.5526 36.3652 174.4575 36 A 4.7203 8.6701 126.1559 51.0307 19.2387 177.0536 37 V 4.5210 8.2478 114.7346 59.7156 35.6907 175.3820 38 E 4.4275 8.5130 119.7211 55.7051 30.6930 176.7109 39 S 4.3168 8.5866 114.2559 58.2476 63.8443 175.4886 40 G 3.9628 8.2796 108.3560 45.8196 0.0000 173.3747 41 V 4.5583 7.2899 110.9595 58.2695 35.5413 173.6416 42 P 4.3492 0.0000 0.0000 62.6783 31.7019 176.5708 43 E 3.8786 8.4767 120.8364 57.7385 30.3784 176.3261 44 Q 3.5657 8.4276 121.6996 55.7688 26.6327 171.3425 45 P 4.2912 0.0000 0.0000 62.4609 32.6401 175.9073 46 F 5.0945 8.4283 120.1106 57.5683 40.0784 176.3950 47 G 4.3956 9.5118 113.6269 46.2253 0.0000 174.3400 48 S 4.6232 9.6836 117.7421 61.6739 62.4722 176.7448 49 E 3.9340 8.2908 120.7072 59.4488 29.1202 179.0895 50 E 4.0036 8.2202 118.1987 59.5625 29.6812 179.3355 51 T 3.9340 8.1540 115.8287 66.7405 68.5293 176.6448 52 R 3.5647 8.0564 120.3512 59.1510 29.7708 178.2920 53 A 3.9875 8.1153 120.7624 55.0297 18.3275 179.7341 54 G 3.5721 8.1617 103.9567 47.9600 0.0000 175.7626 55 A 4.0389 7.9590 123.2863 54.9070 18.4450 179.9360 56 R 3.8903 8.2445 116.8973 59.4583 30.1414 179.0039 57 N 4.3205 8.4366 116.5320 56.4286 38.4628 177.6323 58 R 3.9410 8.1592 119.4295 59.2133 30.1369 179.2891 59 V 3.6590 7.9224 117.9476 66.1711 31.5747 177.7864 60 D 4.2258 8.1536 118.5684 57.5249 40.6674 178.6492 61 N 4.3492 8.3555 116.7392 56.0544 38.5401 177.3837 62 A 4.1231 8.3183 122.5643 55.2238 18.0103 179.9243 63 R 2.9607 7.8733 116.5760 59.1268 29.7649 179.4753 64 R 3.8954 7.6071 116.8100 59.1354 30.0905 178.5952 65 L 4.1831 7.8864 119.3057 57.0705 43.7720 176.8002 66 H 5.0124 8.3836 114.9326 53.4426 28.9672 172.3589 67 P 4.6192 0.0000 0.0000 64.5076 31.9111 178.0867 68 Q 4.4451 8.1661 116.1442 55.6259 28.8975 175.2775 69 A 4.2479 7.6547 121.0398 51.7529 20.1889 176.8751 70 D 4.3651 8.0531 116.3299 55.5555 42.8679 177.4807 71 F 5.0586 7.0490 114.6250 55.2766 43.8507 173.9578 72 W 5.3425 9.4154 120.7877 55.0052 32.8700 174.6303 73 V 5.1105 9.0711 123.4311 61.1813 34.5462 173.9832 74 A 5.1336 9.2558 128.4170 50.1951 22.8813 174.9819 75 I 4.8582 8.3794 119.8744 59.6435 40.2636 174.4334 76 E 4.6814 9.1591 128.9416 54.1432 31.8402 174.6755 77 A 4.6808 8.5863 128.7465 51.5406 20.7521 176.2996 78 G 4.2082 8.1926 107.4369 44.4640 0.0000 170.9808 79 I 5.0681 7.7746 119.1951 59.5597 40.9271 174.8579 80 D 4.7049 9.7576 121.9661 54.4713 45.4300 175.3659 81 D 4.7263 9.9036 122.4588 55.7834 38.7407 173.1780 82 D 4.4904 8.2677 111.0497 55.1548 38.8372 173.4987 83 A 5.2177 7.9844 117.7677 50.8796 23.3893 175.8766 84 T 5.0669 8.5120 114.1236 60.8864 70.0466 173.3638 85 F 5.3009 7.5921 120.5098 56.4609 41.9067 172.4433 86 S 5.1586 9.0854 113.1412 56.4039 66.5800 172.7909 87 W 5.0699 9.1074 121.2038 55.2160 31.5544 175.1543 88 V 4.8408 9.0922 124.5740 61.2549 33.4711 174.4990 89 V 5.0744 8.9321 127.1389 61.2509 34.7016 173.9560 90 I 5.1903 9.2226 128.7424 59.5991 40.3985 173.9781 91 D 5.7221 9.5953 126.5841 52.4183 44.1512 175.5901 92 N 5.3061 8.9477 121.3779 51.8540 37.5333 175.8378 93 G 4.1345 9.8282 109.0401 45.6679 0.0000 174.4734 94 V 4.2048 8.0296 115.6392 63.9423 33.8267 174.9245 95 Q 4.7595 9.2369 120.2139 54.1020 31.1712 173.6576 96 R 5.5110 8.4582 122.0810 54.5745 33.2569 174.5638 97 G 4.5935 9.7506 112.2869 43.5668 0.0000 171.5072 98 E 5.6615 8.8990 121.6815 54.6972 33.7667 174.7013 99 A 4.7645 9.2619 123.7069 50.6010 23.2294 174.8511 100 R 4.1739 7.8019 120.7471 54.3642 31.3873 176.3428 101 S 4.4989 8.7090 121.0827 57.5335 64.1397 173.8129 102 A 4.0893 8.5913 123.3832 52.9004 18.6308 177.2300 103 T 4.7777 8.1484 110.3547 60.6775 71.1858 173.9950 104 L 4.8175 8.6699 125.4976 52.3978 44.4333 173.8123 105 P 4.8534 0.0000 0.0000 63.1384 31.7890 175.6900 106 L 4.6401 8.4521 123.7461 52.3585 43.4739 175.0864 107 P 4.2129 0.0000 0.0000 62.2043 32.2608 177.3722 108 A 3.9929 8.6650 123.5471 55.4561 17.3749 180.6572 109 V 3.6510 7.7113 116.9765 64.8191 31.3621 178.5699 110 I 3.8319 7.4922 119.9414 64.0070 37.2512 177.9304 111 L 4.0547 8.2339 120.2270 58.0009 41.2020 179.2327 112 D 4.4081 8.3315 118.3286 57.3535 40.8887 178.9445 113 R 4.1506 7.4956 115.2547 59.2865 30.4320 179.4113 114 V 4.1777 7.8704 113.1491 63.5560 31.2702 178.2422 115 R 4.3532 8.0834 116.2860 57.4268 30.1290 176.6367 116 Q 4.4135 7.6873 117.3328 55.9980 28.7974 176.8358 117 G 4.0507 8.1839 105.5418 45.3570 0.0000 174.1761 118 E 4.1574 7.8912 120.4006 55.1809 30.6139 175.6043 119 A 4.3044 8.2978 127.7310 51.6100 19.3667 178.2712 120 L 3.9036 9.1548 125.2521 58.2215 42.2027 178.6533 121 G 3.8719 8.0896 105.8623 48.4173 0.0000 172.4288 122 P 4.3268 0.0000 0.0000 65.0697 31.6844 179.3741 123 V 3.5727 7.6156 114.0215 63.8858 31.0524 177.5288 *125 S 4.8210 8.0935 115.7568 58.3501 64.6110 176.0440 126 Q 4.0013 8.1650 120.1641 59.1484 29.0180 176.6369 127 Y 4.2917 8.3715 118.6509 59.9874 38.9344 176.3752 128 T 4.1419 7.9865 107.6928 60.8478 70.2502 175.6086 129 G 3.7980 8.2204 109.1459 45.4489 0.0000 173.1073 130 I 4.1706 7.5378 121.8231 59.4800 37.3420 175.2681 131 D 4.5353 8.5569 125.9633 55.5086 41.5549 176.0721 132 E 3.8071 8.8682 120.1579 56.8332 27.5215 176.7863 133 I 3.6373 7.4539 119.2985 64.1654 38.2562 177.7048 134 G 3.6994 8.0077 107.4050 47.6091 0.0000 174.0153 135 R 4.4988 7.8339 117.3914 56.3124 31.6084 176.9848 136 K 4.5793 7.1472 116.7546 56.9227 32.3119 179.1021 137 E 3.9515 8.9309 129.6454 57.4544 29.8174 177.1904 138 G 3.9638 7.9040 107.1063 44.5570 0.0000 173.8614 139 A 3.6310 8.4012 119.2514 55.3309 17.8945 179.8298 140 I 3.7479 7.7177 117.5988 64.5248 37.1659 178.5313 141 G 3.8948 7.9582 105.9288 46.8793 0.0000 175.6665 142 V 3.4761 7.4612 120.5656 65.8030 31.4246 178.0319 143 F 4.9099 7.8715 115.3071 59.3333 39.1360 176.8003 144 T 4.4354 7.9611 108.7777 60.1724 68.7969 174.4201 145 A 3.7045 8.7857 122.2053 53.6485 16.6593 178.8498 146 G 3.9513 8.5188 106.0138 47.2648 0.0000 175.9814 147 K 4.1379 7.9491 119.9096 58.1657 32.6279 177.0591 148 L 4.8962 8.0749 117.6820 52.4301 45.5199 175.1547 149 T 4.9398 8.2154 110.0911 58.9042 73.0338 174.8755 150 R 3.4084 8.2256 121.1155 59.7395 29.7805 178.3291 151 S 4.0808 7.8704 112.1733 61.5309 62.2711 176.1689 152 S 4.1464 8.0506 116.7906 61.0888 62.6359 176.6877 153 V 3.6209 7.8555 122.1412 66.1908 31.2746 177.6911 154 Y 4.4454 8.2463 116.7185 61.0150 37.5745 177.6866 155 Y 4.2013 8.4992 121.0620 61.0643 38.8032 178.4591 156 Q 3.7548 7.8795 118.0456 58.8711 28.7686 178.6678 157 A 3.9321 7.8146 121.9251 55.0812 18.3737 179.9020 158 V 3.5021 8.1212 117.0574 66.1309 31.4139 178.1077 159 I 3.4078 7.2325 118.3356 64.4879 37.2321 178.0510 160 L 4.0692 8.0295 119.4512 57.7528 41.3522 179.4292 161 A 4.2163 8.2724 120.3577 54.4621 18.3023 178.9004 162 L 4.4842 7.7972 116.6429 56.0842 41.2632 178.9757 163 S 4.0702 7.9863 116.5345 61.3956 62.6626 174.7977 164 P 4.2012 0.0000 0.0000 64.3268 31.0475 177.4445 165 F 5.0232 7.9833 115.3025 57.3722 39.3275 176.2505 166 H 4.9915 7.7471 112.5892 55.4517 29.1510 172.8865 167 N 4.6819 8.2603 116.5003 53.7048 41.5685 174.3307 168 A 4.0049 8.9682 125.1450 52.4360 18.4172 177.2629 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 4.10 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 *2 H 8.38 4.67 0.00 3.10 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 9.44 4.55 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 4 V 8.37 4.36 1.61 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 0.26 0.00 0.00 0.34 0.00 0.00 5 I 8.39 4.35 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.71 0.98 0.00 0.00 6 S 8.85 4.91 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.50 4.73 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 8 T 7.18 4.25 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 1.24 0.00 0.00 9 T 8.64 4.42 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 10 N 8.20 4.47 0.00 2.83 2.79 0.00 0.00 7.19 7.21 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 11 P 0.00 4.27 0.00 2.20 2.08 0.00 3.66 0.00 0.00 3.92 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 12 A 8.44 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 13 K 8.29 4.14 0.00 2.04 1.96 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.78 1.72 7.81 14 I 7.97 3.74 1.88 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 1.40 0.83 0.89 0.00 0.00 15 Q 8.20 3.95 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 16 A 7.94 4.18 1.64 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 0.00 0.00 17 I 8.00 3.83 2.03 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 1.52 0.80 0.82 0.00 0.00 18 L 8.23 3.97 0.00 1.78 1.77 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.40 4.08 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 20 A 8.45 4.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.69 3.95 0.00 3.23 3.20 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 22 E 8.64 4.24 0.00 2.32 2.06 0.00 0.00 0.00 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 2.56 0.00 23 E 8.21 3.98 0.00 2.24 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 0.00 2.45 2.40 0.00 24 I 7.30 3.61 1.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.42 -0.38 0.00 0.00 25 F 7.89 4.80 0.00 3.23 3.15 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 0.00 0.00 0.00 0.00 26 G 7.69 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.65 4.09 0.00 1.96 1.90 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 2.32 2.48 0.00 28 G 9.17 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 29 S 8.00 4.51 0.00 4.11 4.11 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 30 C 7.96 5.11 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 9.08 4.80 0.00 3.18 3.10 0.00 5.76 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.10 4.48 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.33 0.78 0.00 0.00 33 T 8.43 4.36 4.10 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 0.00 0.00 1.12 0.00 0.00 34 P 0.00 4.84 0.00 1.92 2.11 0.00 3.57 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 1.99 2.06 0.00 35 V 8.80 4.58 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 0.77 0.00 0.00 1.02 0.00 0.00 36 A 8.67 4.72 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 37 V 8.25 4.52 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 0.85 0.00 0.00 1.01 0.00 0.00 38 E 8.51 4.43 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 2.24 2.29 0.00 39 S 8.59 4.32 0.00 3.99 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 40 G 8.28 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.29 4.56 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 42 P 0.00 4.35 0.00 2.02 1.99 0.00 3.69 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 2.04 2.13 0.00 43 E 8.48 3.88 0.00 1.92 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 2.30 2.23 0.00 44 Q 8.43 3.57 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 1.87 2.13 0.00 45 P 0.00 4.29 0.00 2.23 1.97 0.00 3.72 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 2.08 0.00 46 F 8.43 5.09 0.00 3.11 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 47 G 9.51 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 0.00 0.00 0.00 0.00 48 S 9.68 4.62 0.00 3.94 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 49 E 8.29 3.93 0.00 2.13 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 2.41 2.48 0.00 50 E 8.22 4.00 0.00 2.41 2.05 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 2.47 2.50 0.00 51 T 8.15 3.93 4.88 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 1.41 0.00 0.00 52 R 8.06 3.56 0.00 0.67 1.44 0.00 2.61 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.82 0.00 53 A 8.12 3.99 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 54 G 8.16 3.57 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 0.00 55 A 7.96 4.04 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 56 R 8.24 3.89 0.00 1.96 1.95 0.00 2.99 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 1.60 1.72 0.00 57 N 8.44 4.32 0.00 2.90 2.90 0.00 0.00 7.06 8.07 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 58 R 8.16 3.94 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 59 V 7.92 3.66 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 1.12 0.00 0.00 1.12 0.00 0.00 60 D 8.15 4.23 0.00 2.85 2.63 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 61 N 8.36 4.35 0.00 2.74 2.86 0.00 0.00 6.92 6.82 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 62 A 8.32 4.12 1.55 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 0.00 0.00 63 R 7.87 2.96 0.00 1.63 1.28 0.00 2.59 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 64 R 7.61 3.90 0.00 1.90 1.95 0.00 3.12 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 65 L 7.89 4.18 0.00 1.81 1.95 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.38 5.01 0.00 3.68 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.62 0.00 2.22 2.17 0.00 3.40 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 68 Q 8.17 4.45 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 69 A 7.65 4.25 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.05 4.37 0.00 2.54 2.21 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 0.00 71 F 7.05 5.06 0.00 2.55 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 W 9.42 5.34 0.00 3.31 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.07 5.11 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 1.12 0.00 0.00 1.02 0.00 0.00 74 A 9.26 5.13 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 75 I 8.38 4.86 1.81 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 1.19 0.73 0.38 0.00 0.00 76 E 9.16 4.68 0.00 2.09 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 2.35 2.27 0.00 77 A 8.59 4.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.19 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 0.00 0.00 0.00 0.00 79 I 7.77 5.07 1.98 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 0.91 0.79 1.18 0.00 0.00 80 D 9.76 4.70 0.00 3.24 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 81 D 9.90 4.73 0.00 2.80 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 82 D 8.27 4.49 0.00 2.97 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.98 5.22 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 84 T 8.51 5.07 4.26 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 1.28 0.00 0.00 85 F 7.59 5.30 0.00 3.09 3.12 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 86 S 9.09 5.16 0.00 3.64 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 87 W 9.11 5.07 0.00 3.38 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 88 V 9.09 4.84 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 1.01 0.00 0.00 0.88 0.00 0.00 89 V 8.93 5.07 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 1.14 0.00 0.00 1.06 0.00 0.00 90 I 9.22 5.19 2.19 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.88 0.00 0.00 91 D 9.60 5.72 0.00 2.86 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 92 N 8.95 5.31 0.00 2.40 2.49 0.00 0.00 7.19 6.82 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 93 G 9.83 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 0.00 0.00 0.00 94 V 8.03 4.20 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 0.88 0.00 0.00 0.97 0.00 0.00 95 Q 9.24 4.76 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.53 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 96 R 8.46 5.51 0.00 1.93 1.81 0.00 3.26 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 97 G 9.75 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 5.66 0.00 2.00 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 0.00 2.32 2.39 0.00 99 A 9.26 4.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.80 4.17 0.00 0.67 1.17 0.00 2.71 0.00 0.00 2.71 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 101 S 8.71 4.50 0.00 4.03 3.89 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 0.00 102 A 8.59 4.09 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 0.00 103 T 8.15 4.78 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 1.15 0.00 0.00 104 L 8.67 4.82 0.00 1.84 1.65 1.05 1.03 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 0.00 105 P 0.00 4.85 0.00 2.08 2.05 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 106 L 8.45 4.64 0.00 1.57 1.63 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.21 0.00 1.99 1.75 0.00 3.48 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.44 0.00 108 A 8.66 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 127 Y 8.37 4.29 0.00 3.05 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 0.00 128 T 7.99 4.14 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 1.24 0.00 0.00 129 G 8.22 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 0.00 0.00 0.00 130 I 7.54 4.17 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.34 0.88 0.00 0.00 131 D 8.56 4.54 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 3.81 0.00 2.13 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 2.31 2.27 0.00 133 I 7.45 3.64 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.29 0.91 0.00 0.00 134 G 8.01 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 0.00 135 R 7.83 4.50 0.00 1.93 1.97 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 136 K 7.15 4.58 0.00 1.81 0.93 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.49 7.81 137 E 8.93 3.95 0.00 1.97 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 2.26 0.00 138 G 7.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.40 3.63 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 0.00 140 I 7.72 3.75 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.53 0.90 0.00 0.00 141 G 7.96 3.89 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 0.00 0.00 0.00 142 V 7.46 3.48 1.59 0.00 0.00 0.00 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 0.80 0.00 0.00 143 F 7.87 4.91 0.00 3.06 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 0.00 144 T 7.96 4.44 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 1.33 0.00 0.00 145 A 8.79 3.70 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 0.00 146 G 8.52 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.95 4.14 0.00 1.84 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.70 1.56 7.81 148 L 8.07 4.90 0.00 1.66 1.49 0.94 0.30 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 0.00 149 T 8.22 4.94 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 1.21 0.00 0.00 150 R 8.23 3.41 0.00 1.86 1.75 0.00 3.00 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.16 0.00 151 S 7.87 4.08 0.00 3.88 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 0.00 152 S 8.05 4.15 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.86 3.62 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 1.15 0.00 0.00 0.98 0.00 0.00 154 Y 8.25 4.45 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.50 4.20 0.00 3.15 3.25 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 0.00 156 Q 7.88 3.75 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 157 A 7.81 3.93 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 0.00 158 V 8.12 3.50 2.05 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 1.07 0.00 0.00 1.06 0.00 0.00 159 I 7.23 3.41 1.67 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.03 0.73 0.00 0.00 160 L 8.03 4.07 0.00 1.77 1.68 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.27 4.22 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.80 4.48 0.00 1.81 1.54 -0.01 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 163 S 7.99 4.07 0.00 3.91 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 0.00 164 P 0.00 4.20 0.00 1.10 1.80 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.04 0.00 165 F 7.98 5.02 0.00 3.41 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 H 7.75 4.99 0.00 3.23 3.30 0.00 5.50 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.26 4.68 0.00 2.57 2.65 0.00 0.00 7.34 7.35 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 0.00 168 A 8.97 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 * Residues marked with a * may have inaccurate shift predictions.