NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4687 8.3331 119.6387 55.9665 30.2100 174.0975 3 G 3.9529 8.2105 108.9394 43.5426 0.0000 171.6980 4 D 4.6041 8.4074 121.0280 53.5326 42.2276 173.9233 5 P 4.2990 0.0000 0.0000 66.2245 31.0851 178.4542 6 D 4.3315 8.6832 118.9640 57.0201 40.6928 178.7783 7 V 3.5836 7.8581 118.2749 66.0284 31.6432 177.8122 8 L 3.9772 8.2546 119.1277 57.9542 41.4743 179.6073 9 R 3.9034 8.2017 118.6130 59.1344 29.9557 178.3914 10 L 3.9484 7.9635 120.3582 57.9661 42.0200 178.9246 11 L 3.9712 8.2519 119.3383 58.0127 41.6258 179.3074 12 N 4.2862 8.2910 116.3986 56.1244 38.4500 177.1480 13 E 3.8978 8.1356 120.8407 59.3479 29.7818 178.7230 14 Q 3.9585 8.2455 119.6887 58.8556 29.0604 177.7724 15 L 3.8596 8.0873 121.8233 58.4824 42.0852 179.1022 16 T 3.7606 7.9094 115.5889 66.6484 68.2666 176.5430 17 S 4.0480 7.8088 114.5673 61.2165 62.3379 176.0681 18 E 3.8659 8.1134 121.2840 59.4689 29.3068 179.3024 19 L 3.9130 7.7416 118.9088 57.9192 41.5089 179.7571 20 T 3.7025 7.7954 115.3786 66.6596 68.4633 176.4851 21 A 3.3001 7.9047 122.6422 54.8257 18.1693 179.6640 22 I 3.4850 7.8363 118.5840 64.5623 37.1904 178.2298 23 N 4.2729 7.8271 116.9505 56.4952 38.4511 177.2733 24 Q 3.8620 8.1015 120.9256 59.4179 29.1558 177.9378 25 Y 4.4443 8.2779 118.2221 61.0118 37.9109 178.1157 26 F 4.0393 8.5321 121.8008 61.0993 39.3235 176.8347 27 L 3.8340 7.9237 118.6539 58.6075 41.9716 178.1624 28 H 4.3011 7.9563 114.8816 59.0448 28.8560 177.5522 29 S 4.4370 8.0203 115.8707 61.2031 62.6558 176.8701 30 K 4.1007 7.4353 120.0338 56.5861 31.7509 178.9545 *32 Q 4.4498 8.0382 120.1515 56.1842 30.8227 177.0838 33 D 4.3202 8.2637 117.4489 57.3740 41.2201 177.8447 34 N 4.3953 7.9612 115.6162 55.3932 39.0552 175.5994 35 W 4.5996 7.6783 116.4764 57.3268 29.5861 176.7744 36 G 3.8503 7.4862 104.6789 45.6115 0.0000 175.2446 37 F 4.9777 7.8099 121.7934 56.8794 35.4274 176.3430 38 T 4.1652 7.6605 112.5793 64.7380 69.1940 176.8318 39 E 4.0096 7.8903 120.9553 59.0253 29.7957 178.6886 40 L 4.1827 8.0337 119.7228 58.1189 42.2317 178.3611 41 A 4.1631 8.2775 120.5821 55.5476 18.1140 179.4584 42 A 3.9802 7.8935 118.9481 55.4648 18.4910 179.4736 43 H 4.0515 8.2401 116.8105 59.8467 30.1636 177.7496 44 T 3.9604 7.9975 117.1226 66.4743 68.1788 176.4368 45 R 4.0026 8.4850 120.9622 59.4505 30.2175 178.4562 46 A 4.2074 7.8493 120.5435 55.3619 18.4268 179.4680 47 E 3.9082 8.1477 116.8028 59.4985 29.1920 179.5765 48 S 4.3018 7.8084 112.2561 61.4241 62.5501 175.9065 49 F 4.3216 7.8809 119.4275 59.8476 38.9755 177.3474 50 D 4.5540 8.0229 118.8746 57.1217 40.8134 180.0162 51 E 4.2170 7.9941 119.8783 56.0173 29.3604 179.2434 *53 R 4.2807 8.0097 120.3744 56.8363 32.4088 176.7534 54 H 4.2525 8.3178 114.6747 59.0168 28.7067 177.3382 55 A 3.9833 8.4167 122.8482 55.4590 18.1078 179.3681 56 E 3.9914 8.0570 117.0467 59.3825 29.8357 178.6922 57 E 4.0051 8.3540 118.7091 59.4360 29.4728 179.4034 58 I 3.7199 7.9040 119.7983 64.6258 37.0859 178.4002 59 T 3.9464 7.9697 116.5537 66.8671 68.2683 176.0729 60 D 4.3589 8.2216 120.4537 57.4631 40.8455 178.7289 61 R 3.8876 8.0592 118.8968 59.6234 30.0610 178.3997 62 I 3.6923 8.0941 119.7017 64.5440 37.1478 178.3718 63 L 4.0069 8.2093 119.9418 57.7568 41.2152 179.3693 64 L 4.0000 8.0964 119.6228 58.0127 42.4192 178.2579 65 L 4.2671 8.0439 116.6479 54.5511 41.2472 176.9643 66 D 4.6615 8.0277 117.5325 55.0966 39.9262 173.7175 67 G 4.0221 7.9087 106.7902 43.3972 0.0000 173.2496 68 L 4.6266 8.0516 118.8437 51.9646 42.8843 175.1563 69 P 4.4065 0.0000 0.0000 62.4786 31.7838 175.9364 70 N 4.6576 9.2930 123.0282 53.1716 38.0729 173.7080 71 Y 4.3879 8.5924 122.1015 57.7658 38.4776 176.5531 72 Q 4.2544 8.5752 122.9576 56.7077 29.8517 175.6039 73 R 4.5280 7.9506 117.6890 54.3800 31.4563 174.9422 74 I 4.4724 8.0909 125.4071 59.2735 40.0336 176.2989 75 G 3.7844 8.3983 113.2475 44.7456 0.0000 172.4201 76 S 4.3741 8.3576 114.9096 56.9231 62.2915 174.3794 77 L 4.0719 8.4482 129.0050 54.4864 41.9597 176.7697 78 R 4.4944 8.6312 119.8684 54.4723 30.4851 175.1965 79 I 4.5026 8.3210 124.3397 59.1597 38.7016 176.0150 80 G 3.8807 8.8731 114.7716 45.5941 0.0000 173.1576 81 Q 4.8685 9.0345 120.4913 55.8388 29.6924 175.9532 82 T 4.4310 7.3513 108.3181 58.6367 73.3111 174.5293 83 L 3.7081 8.1159 121.2046 58.0114 41.6767 179.6430 84 R 3.9141 7.8381 117.8869 59.6845 29.9685 178.1448 85 E 4.0092 8.0877 118.0882 59.4628 29.3736 179.4137 86 Q 3.8542 7.9788 118.0680 58.8958 28.7328 178.7384 87 F 4.5027 7.9065 118.8740 60.7329 38.9030 177.6720 88 E 4.0261 8.4900 117.9598 59.3334 28.9539 179.1450 89 A 4.0794 8.6225 121.1856 55.4752 18.2105 179.4962 90 D 4.6915 8.5357 117.4887 57.3403 40.8912 178.7738 91 L 3.7455 8.2367 120.8701 57.7825 41.9207 178.6592 92 A 4.1735 8.2114 120.9185 55.5260 18.2276 179.5555 93 I 3.7410 7.5579 115.5668 64.1353 38.0780 177.9767 94 E 4.0653 7.8804 119.5805 59.4156 29.2293 178.8576 95 Y 4.4216 7.8584 117.0308 61.0676 37.8697 177.9442 96 D 4.4310 8.0692 119.9843 57.3419 40.9304 178.8583 97 V 3.5910 7.6072 118.4009 66.2580 31.5280 177.9253 98 L 4.0689 7.8213 117.9517 58.1538 41.2606 179.4656 99 N 4.4148 8.1254 115.3194 55.9903 38.2064 177.0613 100 R 4.1331 8.1375 120.2377 59.0522 30.2497 178.3920 101 L 4.1080 8.4227 119.1628 57.1999 41.4653 179.1791 102 K 3.8977 7.8078 117.8957 59.4317 32.1736 177.3246 103 P 4.4970 0.0000 0.0000 65.1767 31.0582 178.9185 104 G 3.6019 7.4683 103.4724 47.9002 0.0000 175.4638 105 I 3.9256 8.0501 122.6725 63.9381 37.1008 179.0592 106 V 3.3480 7.0787 115.4261 64.3064 31.3694 177.0542 *108 C 4.5097 8.1557 117.5944 59.5995 30.0772 176.4652 109 R 3.9669 7.9721 118.4323 59.0708 29.9569 178.8721 110 E 3.9897 8.1498 116.9939 59.3584 29.4316 178.2118 111 K 4.1270 7.9488 114.9331 56.7504 32.3295 177.0022 112 Q 3.6709 7.8560 116.9165 56.9574 26.5652 173.9115 113 D 4.7335 8.0376 120.8694 53.1998 40.1171 176.5692 114 T 4.0784 7.9782 115.7885 64.1446 69.4834 176.9113 115 T 3.9056 7.8505 118.3521 66.6644 68.5580 176.5742 116 S 4.1437 8.2781 116.4280 61.3503 62.8150 176.5822 117 A 3.9605 7.7502 123.2282 55.2319 18.1872 179.8513 118 V 3.5770 8.2624 117.1896 65.9512 31.6419 177.8895 119 L 3.9601 7.8226 119.7124 58.3173 41.9051 179.0749 120 L 4.0602 7.9464 118.7543 57.5434 41.5770 179.1640 121 E 4.0314 8.8145 121.6533 60.0522 29.3920 180.2320 122 K 4.0617 8.2155 123.6347 59.7340 31.7708 181.1749 123 I 3.7894 7.6198 120.5150 64.1642 37.0243 178.5833 124 V 3.5819 7.9691 118.9230 65.9920 31.3868 177.7334 125 A 4.1745 7.9258 120.2727 55.5650 18.0741 179.4134 126 D 4.4610 8.1526 117.2398 57.6068 40.9175 178.8874 127 E 4.1383 8.4608 119.0468 59.1770 29.4602 179.1295 128 E 4.1877 8.4051 118.9096 59.3668 29.4764 179.1475 129 E 4.0906 7.9453 117.4283 59.3329 29.4508 178.7962 130 H 4.3602 8.0613 118.5515 59.1632 29.8968 177.1667 131 I 3.5402 8.2437 122.1027 64.5218 36.9817 177.8057 132 D 4.2876 8.1083 118.6282 57.3898 41.0587 177.5006 133 Y 4.0368 8.0447 119.9510 60.7874 38.8362 178.2535 134 L 3.2727 8.1078 120.0135 57.6998 41.7302 179.4200 135 E 3.8807 8.3044 118.8132 59.6534 29.2537 179.6186 136 T 3.7974 7.7561 115.8236 66.4986 68.2020 176.8330 137 Q 3.6233 7.0357 119.1789 58.7136 28.6225 178.3991 138 L 3.8935 7.0791 118.8291 57.6268 41.9553 178.8972 139 E 4.0442 8.0143 119.2829 58.8551 29.6154 179.6132 140 L 4.1382 7.8101 120.0535 54.6826 41.4710 178.9811 *142 D 4.5471 8.0942 120.0672 54.4426 42.9676 177.6498 143 K 4.1378 8.0131 117.4050 59.1516 32.1775 178.2463 144 L 4.1971 8.2224 117.7273 54.9719 42.4653 178.1645 145 G 4.0734 8.0633 103.6654 45.3348 0.0000 174.1937 146 E 3.9297 8.7997 119.4966 59.3170 29.5364 179.5575 147 E 3.9855 8.1300 117.9805 59.5016 29.4239 179.0931 148 L 3.9735 7.8601 118.3294 58.2696 42.4938 177.8832 149 Y 4.0820 8.1628 119.5592 60.7910 38.7272 178.0233 150 S 4.0317 8.5708 116.3052 61.5258 62.7287 176.4565 151 A 4.1713 8.0724 122.1403 54.4122 18.1954 178.6767 152 Q 4.2126 7.5708 114.7409 56.7026 29.1609 176.0712 153 C 4.6740 8.1159 117.4632 59.4147 29.2597 173.8235 154 V 4.4233 7.5974 113.0626 59.5505 33.4625 175.1825 155 S 4.5372 8.1732 116.1549 57.3999 64.5500 173.1514 156 R 4.6223 8.1127 118.8341 53.7621 31.1638 174.4586 157 P 4.5800 0.0000 0.0000 60.8523 32.3227 174.6799 158 P 4.5854 0.0000 0.0000 62.7417 32.0059 176.5571 159 T 4.6513 8.0107 115.2728 60.9493 69.6139 171.5504 160 S 4.6454 8.2820 113.2643 56.6693 66.2567 173.4568 161 A 4.0742 8.7183 124.5366 54.8593 18.2800 178.2644 *162 W 4.4666 7.4672 119.8904 56.4586 29.4240 179.7605 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 2 Q 8.33 4.47 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 3 G 8.21 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 4 D 8.41 4.60 0.00 2.82 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 5 P 0.00 4.30 0.00 2.30 2.31 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 6 D 8.68 4.33 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.86 3.58 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 1.22 0.00 0.00 0.93 0.00 0.00 8 L 8.25 3.98 0.00 1.93 1.71 0.93 0.69 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 9 R 8.20 3.90 0.00 2.04 2.06 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 10 L 7.96 3.95 0.00 1.81 1.83 0.92 0.42 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 11 L 8.25 3.97 0.00 1.86 1.69 0.92 0.58 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 12 N 8.29 4.29 0.00 2.86 2.85 0.00 0.00 6.71 7.28 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 13 E 8.14 3.90 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 14 Q 8.25 3.96 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 15 L 8.09 3.86 0.00 1.77 1.76 0.66 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.91 3.76 4.36 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 1.21 0.00 0.00 17 S 7.81 4.05 0.00 3.87 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 18 E 8.11 3.87 0.00 2.10 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 2.56 2.47 0.00 19 L 7.74 3.91 0.00 1.70 1.60 0.56 0.60 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 20 T 7.80 3.70 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 1.14 0.00 0.00 21 A 7.90 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.84 3.48 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.76 0.00 0.00 23 N 7.83 4.27 0.00 2.91 2.83 0.00 0.00 6.75 7.87 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 24 Q 8.10 3.86 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.25 0.00 25 Y 8.28 4.44 0.00 3.00 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 26 F 8.53 4.04 0.00 3.09 3.04 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 27 L 7.92 3.83 0.00 1.75 1.70 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.96 4.30 0.00 3.43 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.02 4.44 0.00 4.19 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 30 K 7.44 4.10 0.00 1.69 1.65 0.00 1.29 0.00 0.00 0.83 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.86 1.24 7.81 *32 Q 8.04 4.45 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 33 D 8.26 4.32 0.00 2.87 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 34 N 7.96 4.40 0.00 2.64 2.55 0.00 0.00 7.30 7.91 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 35 W 7.68 4.60 0.00 3.64 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 36 G 7.49 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 37 F 7.81 4.98 0.00 3.42 3.04 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 38 T 7.66 4.17 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 39 E 7.89 4.01 0.00 2.06 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 0.00 2.37 2.55 0.00 40 L 8.03 4.18 0.00 1.86 1.97 1.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.28 4.16 1.52 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 0.00 0.00 42 A 7.89 3.98 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 43 H 8.24 4.05 0.00 3.28 3.50 0.00 5.59 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 44 T 8.00 3.96 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 1.30 0.00 0.00 45 R 8.48 4.00 0.00 2.03 2.23 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 46 A 7.85 4.21 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 47 E 8.15 3.91 0.00 2.07 1.78 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 2.33 2.27 0.00 48 S 7.81 4.30 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 49 F 7.88 4.32 0.00 3.17 3.10 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 0.00 50 D 8.02 4.55 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.99 4.22 0.00 2.14 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 2.74 2.54 0.00 *53 R 8.01 4.28 0.00 1.89 2.12 0.00 3.33 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 54 H 8.32 4.25 0.00 3.43 3.42 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.42 3.98 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 56 E 8.06 3.99 0.00 2.10 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 2.41 2.44 0.00 57 E 8.35 4.01 0.00 2.24 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 2.36 2.65 0.00 58 I 7.90 3.72 1.86 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 1.51 0.85 0.92 0.00 0.00 59 T 7.97 3.95 4.50 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 1.35 0.00 0.00 60 D 8.22 4.36 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.06 3.89 0.00 1.94 2.09 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 62 I 8.09 3.69 2.05 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 0.76 0.96 0.00 0.00 63 L 8.21 4.01 0.00 1.83 1.73 0.93 0.76 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 64 L 8.10 4.00 0.00 1.78 1.87 0.93 0.92 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 65 L 8.04 4.27 0.00 1.86 1.67 0.92 1.18 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 66 D 8.03 4.66 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.91 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 0.00 0.00 0.00 68 L 8.05 4.63 0.00 1.63 1.63 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 0.00 2.32 2.16 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 70 N 9.29 4.66 0.00 2.70 2.71 0.00 0.00 7.12 7.20 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 71 Y 8.59 4.39 0.00 2.93 2.95 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 72 Q 8.58 4.25 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 73 R 7.95 4.53 0.00 1.78 1.76 0.00 3.22 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 74 I 8.09 4.47 1.84 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 1.30 0.76 0.86 0.00 0.00 75 G 8.40 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.36 4.37 0.00 3.84 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 77 L 8.45 4.07 0.00 1.64 1.58 0.93 0.89 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 78 R 8.63 4.49 0.00 1.96 1.95 0.00 3.10 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 79 I 8.32 4.50 1.92 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 1.32 0.63 0.98 0.00 0.00 80 G 8.87 3.88 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 0.00 0.00 0.00 81 Q 9.03 4.87 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 82 T 7.35 4.43 4.09 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 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0.00 1.99 1.80 0.64 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.21 4.17 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 93 I 7.56 3.74 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 1.14 0.00 0.00 94 E 7.88 4.07 0.00 1.92 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 2.68 2.51 0.00 95 Y 7.86 4.42 0.00 3.22 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 96 D 8.07 4.43 0.00 2.85 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 97 V 7.61 3.59 2.30 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 1.05 0.00 0.00 0.98 0.00 0.00 98 L 7.82 4.07 0.00 2.01 1.78 1.03 0.80 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 99 N 8.13 4.41 0.00 2.90 2.90 0.00 0.00 7.01 7.16 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.97 3.97 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 110 E 8.15 3.99 0.00 1.98 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 2.35 2.43 0.00 111 K 7.95 4.13 0.00 1.90 1.85 0.00 2.11 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.40 7.81 112 Q 7.86 3.67 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 113 D 8.04 4.73 0.00 2.72 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 0.00 114 T 7.98 4.08 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 0.00 115 T 7.85 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 1.22 0.00 0.00 116 S 8.28 4.14 0.00 4.08 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 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0.00 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 L 8.11 3.27 0.00 1.68 1.50 0.79 0.89 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 0.00 135 E 8.30 3.88 0.00 1.98 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 2.36 2.46 0.00 136 T 7.76 3.80 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 1.13 0.00 0.00 137 Q 7.04 3.62 0.00 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 1.19 1.40 0.00 138 L 7.08 3.89 0.00 1.60 1.62 0.93 0.95 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 0.00 139 E 8.01 4.04 0.00 2.16 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 2.26 2.30 0.00 140 L 7.81 4.14 0.00 1.84 1.83 0.99 1.23 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 *142 D 8.09 4.55 0.00 2.78 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 0.00 143 K 8.01 4.14 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 144 L 8.22 4.20 0.00 1.75 1.77 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.06 4.07 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 0.00 0.00 0.00 146 E 8.80 3.93 0.00 2.01 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 2.37 0.00 147 E 8.13 3.99 0.00 2.07 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 0.00 2.41 2.45 0.00 148 L 7.86 3.97 0.00 1.64 1.84 0.93 0.87 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 0.00 149 Y 8.16 4.08 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.57 4.03 0.00 4.14 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 0.00 151 A 8.07 4.17 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 0.00 152 Q 7.57 4.21 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 153 C 8.12 4.67 0.00 3.16 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 0.00 154 V 7.60 4.42 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 0.91 0.00 0.00 1.06 0.00 0.00 155 S 8.17 4.54 0.00 4.01 4.30 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 0.00 156 R 8.11 4.62 0.00 1.78 1.89 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 157 P 0.00 4.58 0.00 2.04 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 2.02 2.10 0.00 158 P 0.00 4.59 0.00 2.02 1.97 0.00 3.66 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 159 T 8.01 4.65 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 0.00 160 S 8.28 4.65 0.00 3.93 3.77 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 0.00 161 A 8.72 4.07 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 *162 W 7.47 4.47 0.00 2.58 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.