NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1003 8.0549 120.3924 62.5650 32.6484 174.9760 2 L 4.1426 8.2908 127.2413 52.1525 42.5869 175.9247 3 S 4.4851 9.6432 118.9904 58.0481 66.1476 175.1301 4 E 4.3141 8.9025 122.1784 59.5563 29.1863 179.9470 5 G 3.6302 8.0814 105.4728 47.8236 0.0000 175.5378 6 E 3.9385 8.2763 121.1312 58.8702 29.4111 179.2856 7 W 4.5209 8.1946 119.0804 60.2079 29.1079 178.6205 8 Q 4.1726 8.5306 117.8828 58.8817 28.1159 178.6850 9 L 4.0671 8.1342 120.1818 57.7079 41.5631 179.8060 10 V 3.7308 7.9608 118.1402 66.2312 31.5987 178.2447 11 L 4.2147 8.6034 119.0476 57.8070 41.1859 178.9942 12 H 4.2565 8.3921 118.0432 59.1839 30.1555 177.1807 13 V 3.7139 8.0883 120.2530 65.6795 31.4087 177.7561 14 W 3.8649 8.6129 128.1414 60.3640 30.2596 177.7533 15 A 4.0176 7.9399 119.9648 54.8896 18.0171 179.5162 16 K 3.9133 7.7099 117.1705 59.4907 32.0995 179.4952 17 V 2.6558 7.1682 117.9477 65.8219 30.9781 177.4886 18 E 3.9681 7.5099 115.7785 58.0392 29.4240 178.2225 19 A 4.2522 7.3497 119.4284 53.0014 19.9427 177.5717 20 D 4.6747 7.6554 115.2286 52.4264 43.3792 176.0226 21 V 3.5921 7.6882 123.7995 64.2865 32.0364 178.3906 22 A 4.0266 7.9549 121.1539 54.8199 18.2581 179.7408 23 G 3.5461 8.3006 105.5605 47.6887 0.0000 175.6375 24 H 4.0961 8.3592 119.1730 58.4700 28.6840 178.2103 25 G 3.5322 8.2831 107.6501 47.6635 0.0000 175.3771 26 Q 3.9430 8.3906 122.6013 59.1896 29.0548 178.3748 27 D 4.2600 8.1755 119.8115 57.3640 40.7358 178.9483 28 I 3.6733 7.8028 120.3190 64.3078 37.0518 178.5154 29 L 3.4089 7.8477 119.8733 57.4796 41.2640 179.6040 30 I 3.6162 7.7627 120.0288 64.3136 36.9654 178.4303 31 R 3.7820 7.9210 119.4894 59.1814 29.8890 178.2318 32 L 3.9041 7.8025 120.1763 58.3843 41.9645 179.0726 33 F 4.6345 7.8954 117.6993 60.1797 38.6227 177.8817 34 K 3.9747 8.2636 119.2183 59.6023 32.1576 178.8884 35 S 4.2471 8.0626 114.2424 60.2532 64.2191 174.5446 36 H 4.7662 7.9430 118.2854 52.2485 29.4560 172.0004 37 P 4.6726 0.0000 0.0000 64.5580 31.4347 177.6727 38 E 4.1310 8.3198 116.4405 59.5203 29.3114 179.1831 39 T 3.8407 8.2804 111.3268 64.5659 68.8076 176.2688 40 L 3.6134 7.9685 122.7905 57.8148 41.7539 178.6072 41 E 4.1401 7.8805 117.4384 58.4422 29.4675 178.6416 42 K 4.3825 8.0598 117.6336 57.0817 33.2646 177.8004 43 F 4.6130 8.0621 119.5061 55.3058 38.2938 175.3662 44 D 4.4170 8.4049 123.2085 57.3024 40.9247 177.9415 45 R 3.9492 7.8024 117.7865 58.1623 30.3200 176.6661 46 F 5.1438 7.8978 115.3225 57.0371 40.1578 176.5304 47 K 4.2716 8.0788 119.1798 57.8209 32.6592 177.4205 48 H 4.4237 8.2809 114.9937 57.4570 29.0024 176.0866 49 L 4.3663 7.4874 122.1675 53.4146 39.8742 175.8934 50 K 4.2460 8.1833 120.3290 56.9619 33.4721 177.5906 51 T 4.6195 7.7843 109.8689 59.5944 72.1096 174.9476 52 E 3.8635 8.6451 122.5608 59.6063 29.6589 179.1045 53 A 3.9625 7.9307 120.1642 55.1970 18.2737 179.3276 54 E 3.9168 7.9930 116.1204 59.7110 29.8961 179.1009 55 M 4.1484 8.2497 118.9797 58.4358 31.8567 178.8542 56 K 3.9476 8.1137 118.2803 59.1818 32.4150 178.2967 57 A 4.1908 7.6498 119.5725 52.9584 18.5668 177.6007 58 S 4.1942 7.3592 113.4257 57.8007 63.1764 174.6837 59 E 3.7798 8.9027 128.1781 59.1648 29.1378 178.2339 60 D 4.4973 8.1573 118.0962 57.7643 41.0476 178.6883 61 L 3.8087 7.0946 115.7163 56.7220 41.6443 179.4902 62 K 4.1220 7.2582 117.9267 59.2885 32.2745 180.5408 63 K 4.1083 7.9299 115.5810 57.2039 31.8360 179.0444 *65 G 3.8541 8.0591 110.8916 45.6738 0.0000 176.1379 66 V 3.5763 7.7258 118.9340 66.0179 31.5872 178.0835 67 T 3.9458 8.0097 115.2500 66.7667 68.3897 176.7612 68 V 3.7437 7.7680 120.2776 65.0599 31.7154 178.2484 69 L 4.3185 8.1037 119.9725 57.4379 41.4549 179.5997 70 T 4.0532 8.3393 115.9363 66.4942 68.5042 176.5706 71 A 4.0134 7.9806 122.2985 55.0899 18.3483 179.4794 72 L 3.7535 8.1798 119.0482 57.9910 42.0334 179.2722 73 G 3.0235 8.5374 105.8911 47.6525 0.0000 175.4496 74 A 3.9425 7.8292 122.0969 54.7646 18.6367 179.5919 75 I 3.7708 7.5275 117.9290 64.5520 37.1960 178.5660 76 L 3.9514 7.7715 120.0227 57.7947 41.1837 179.7507 77 K 3.9398 7.8788 117.1031 58.5099 32.2522 178.6145 78 K 3.9756 7.7546 117.7360 55.5821 32.6090 176.5561 79 K 2.0000 8.1503 118.3324 56.3449 29.8105 176.0881 80 G 3.9561 7.6879 106.2427 46.2541 0.0000 173.9274 81 H 4.5490 7.6352 118.5571 55.8646 27.6423 175.1148 82 H 4.9224 7.5207 110.8785 55.2493 29.6650 176.2471 83 E 3.9176 8.5213 122.4306 60.1080 29.1809 178.5082 84 A 3.9934 7.8789 118.8846 55.2145 18.5943 179.0105 85 E 4.0731 8.0352 115.8202 59.3504 29.9645 178.8162 86 L 4.1120 8.2592 120.7515 57.6457 42.1455 178.5085 87 K 3.8264 8.2193 119.9345 59.4544 32.1068 176.8527 88 P 4.2896 0.0000 0.0000 65.3688 31.1491 178.4103 89 L 4.0433 7.9303 118.5608 58.0240 42.0601 178.5942 90 A 4.0682 8.0757 120.7383 55.2306 18.3479 179.1817 91 Q 3.8716 8.0814 118.0054 59.5791 29.1377 178.7345 92 S 3.9851 8.1316 113.9024 61.7780 62.3733 175.8260 93 H 4.2215 8.7431 118.7627 58.2013 28.0194 177.8289 94 A 2.5800 8.1025 123.1271 54.6945 17.9867 179.5540 95 T 3.6883 7.2052 112.3946 65.9665 68.9961 176.6369 96 K 3.9281 7.5151 119.8536 59.3900 32.4721 177.4446 97 H 4.4256 7.7708 113.3907 55.3512 29.7595 175.1628 98 K 3.5428 7.4512 116.9208 56.1332 28.6814 174.9292 99 I 4.3829 8.0051 118.5664 58.5393 38.9402 174.9147 100 P 4.5674 0.0000 0.0000 62.1986 32.2114 177.2870 101 I 3.6517 8.5659 120.6763 64.7132 36.8683 178.2911 102 K 3.9053 7.9043 121.0447 59.1760 31.8056 178.1927 103 Y 4.0269 7.9474 116.7056 60.7579 37.7540 178.1874 104 L 4.2004 7.8897 119.7595 57.5523 41.6170 179.0647 105 E 4.0398 8.2347 118.8142 59.4070 29.4225 179.2667 106 F 4.5634 8.0543 117.8621 60.8747 38.9384 177.6787 107 I 3.8751 8.2499 118.0364 63.9444 37.7124 178.1328 108 S 4.1909 8.3251 116.5249 61.4443 62.5722 176.0647 109 E 4.0047 8.5246 121.8688 59.3142 29.3753 178.7906 110 A 4.0154 8.0518 120.7874 55.0634 18.3635 179.6550 111 I 3.6735 8.1017 118.5694 64.7064 37.2214 178.7685 112 I 3.8085 7.8411 120.6050 64.5216 36.8764 177.8165 113 H 4.0844 8.5100 119.3390 59.5306 29.6089 177.5047 114 V 3.5268 7.9917 119.8657 65.7296 31.3971 177.9113 115 L 3.7181 7.9315 118.9614 57.8908 40.7895 178.9891 116 H 4.3833 8.2842 118.0678 59.4637 29.6244 177.4203 117 S 3.9811 7.8615 115.7869 61.6037 62.7769 176.4995 118 R 4.0582 7.8372 118.5799 57.2490 31.4413 176.3046 119 H 5.1214 8.0132 114.7056 52.7109 29.4163 172.9041 120 P 4.3670 0.0000 0.0000 64.6115 31.7089 177.9221 121 G 4.1433 8.0570 104.8141 45.0946 0.0000 172.7604 122 D 4.9833 8.0643 119.6719 52.3158 39.8948 175.6061 123 F 5.2235 8.1555 120.9390 57.4415 40.5356 174.2296 124 G 3.9918 7.7161 112.0599 43.1080 0.0000 169.9956 125 A 3.8479 8.3199 120.7161 55.4028 18.4888 179.8865 126 D 4.1779 7.9072 116.6424 57.4711 40.9096 178.7668 127 A 3.9889 7.6949 120.8117 54.9483 18.3261 179.3775 128 Q 3.5993 7.8401 118.6172 59.0174 29.0587 178.5043 129 G 3.5278 8.1408 106.7275 47.7030 0.0000 175.5553 130 A 3.8649 8.0132 123.2266 55.0245 18.3278 179.4063 131 M 4.0111 8.3682 117.0332 58.9441 32.2824 178.1561 132 N 4.3649 8.5465 116.9447 56.2919 38.6860 177.5819 133 K 3.9328 8.1775 119.8020 59.2376 32.1257 179.2932 134 A 3.8976 8.0583 121.2613 55.1513 18.2231 179.7589 135 L 4.0585 8.2683 117.8157 57.7581 41.6395 179.2132 136 E 3.9543 8.6137 119.8237 59.2165 29.5188 178.7128 137 L 4.0062 8.1241 120.3637 57.9737 42.1650 178.5444 138 F 4.2041 8.4401 120.6271 61.6505 39.2485 177.3865 139 R 3.6071 8.4045 117.7325 58.9277 29.8078 178.9465 140 K 3.8546 8.4313 119.9061 59.6779 32.2670 178.6419 141 D 4.3624 8.2451 119.1851 57.1663 40.7315 178.8385 142 I 3.4026 7.5674 120.2696 64.1109 36.9312 178.2496 143 A 3.7863 7.9990 121.7037 55.0338 18.1402 179.5925 144 A 3.9366 7.9385 119.3354 55.1664 18.4333 180.0827 145 K 4.0080 7.9969 116.9604 59.6967 32.1386 179.0933 146 Y 4.4199 8.4955 117.5810 61.1566 37.8320 178.7692 147 K 3.9813 8.4130 120.5646 59.4887 32.1015 178.3931 148 E 3.9674 8.0531 118.5222 59.3713 29.6493 178.5243 149 L 4.2387 8.0419 117.6065 55.7455 41.7598 178.2194 150 G 3.8882 7.7686 106.0006 45.5222 0.0000 172.8622 151 Y 4.2001 7.8288 125.8181 57.4000 38.6691 175.1326 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 V 8.05 4.10 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 1.07 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.14 0.00 0.75 0.63 0.57 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.64 4.49 0.00 4.04 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 4 E 8.90 4.31 0.00 2.07 2.13 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 2.50 2.38 0.00 5 G 8.08 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 0.00 0.00 0.00 6 E 8.28 3.94 0.00 1.90 1.75 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 2.23 2.26 0.00 7 W 8.19 4.52 0.00 3.53 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 8 Q 8.53 4.17 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 9 L 8.13 4.07 0.00 1.89 1.77 0.93 0.57 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 10 V 7.96 3.73 2.49 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 1.29 0.00 0.00 0.91 0.00 0.00 11 L 8.60 4.21 0.00 1.82 1.81 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.39 4.26 0.00 3.29 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.09 3.71 2.43 0.00 0.00 0.00 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 1.25 0.00 0.00 14 W 8.61 3.86 0.00 3.65 3.14 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 15 A 7.94 4.02 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 16 K 7.71 3.91 0.00 1.65 1.54 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.31 1.43 7.81 17 V 7.17 2.66 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 0.00 0.00 0.05 0.00 0.00 0.05 0.00 0.00 18 E 7.51 3.97 0.00 2.05 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 2.31 2.26 0.00 19 A 7.35 4.25 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 20 D 7.66 4.67 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.69 3.59 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 0.75 0.00 0.00 0.90 0.00 0.00 22 A 7.95 4.03 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 23 G 8.30 3.55 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 0.00 24 H 8.36 4.10 0.00 3.06 3.21 0.00 5.82 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 25 G 8.28 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.94 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 27 D 8.18 4.26 0.00 2.82 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 28 I 7.80 3.67 1.95 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 1.66 0.63 0.88 0.00 0.00 29 L 7.85 3.41 0.00 1.53 1.10 0.75 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.76 3.62 1.91 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 1.37 0.75 0.87 0.00 0.00 31 R 7.92 3.78 0.00 1.86 2.00 0.00 3.00 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.80 3.90 0.00 1.72 1.35 1.06 0.95 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 33 F 7.90 4.63 0.00 3.02 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 34 K 8.26 3.97 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 35 S 8.06 4.25 0.00 3.63 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.94 4.77 0.00 3.03 2.72 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.67 0.00 2.16 2.12 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 38 E 8.32 4.13 0.00 2.33 2.32 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 2.35 2.60 0.00 39 T 8.28 3.84 4.48 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 0.83 0.00 0.00 40 L 7.97 3.61 0.00 1.36 1.73 -0.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.14 0.00 2.18 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 2.39 2.54 0.00 42 K 8.06 4.38 0.00 1.85 1.69 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.74 1.96 7.81 43 F 8.06 4.61 0.00 3.17 2.90 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 44 D 8.40 4.42 0.00 2.60 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 45 R 7.80 3.95 0.00 1.54 1.33 0.00 2.90 0.00 0.00 2.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.54 0.00 46 F 7.90 5.14 0.00 2.94 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 47 K 8.08 4.27 0.00 1.86 2.22 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.45 7.81 48 H 8.28 4.42 0.00 3.32 3.48 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.49 4.37 0.00 1.58 1.57 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.18 4.25 0.00 1.72 1.84 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.51 7.81 51 T 7.78 4.62 4.23 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 1.30 0.00 0.00 52 E 8.65 3.86 0.00 2.04 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 2.36 2.36 0.00 53 A 7.93 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.99 3.92 0.00 2.12 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 2.34 0.00 55 M 8.25 4.15 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 56 K 8.11 3.95 0.00 1.68 1.81 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 57 A 7.65 4.19 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 58 S 7.36 4.19 0.00 3.97 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 59 E 8.90 3.78 0.00 2.05 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 2.39 2.36 0.00 60 D 8.16 4.50 0.00 2.66 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 L 7.09 3.81 0.00 1.53 1.50 0.86 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.26 4.12 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.56 7.81 63 K 7.93 4.11 0.00 2.02 1.88 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.60 7.81 *65 G 8.06 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 66 V 7.73 3.58 2.27 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 1.05 0.00 0.00 0.98 0.00 0.00 67 T 8.01 3.95 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 1.33 0.00 0.00 68 V 7.77 3.74 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 1.01 0.00 0.00 1.05 0.00 0.00 69 L 8.10 4.32 0.00 1.91 1.97 0.82 0.99 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 70 T 8.34 4.05 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 71 A 7.98 4.01 1.47 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 0.00 0.00 0.00 72 L 8.18 3.75 0.00 1.61 1.62 0.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 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 0.00 0.00 0.00 74 A 7.83 3.94 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 75 I 7.53 3.77 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.97 0.00 0.00 76 L 7.77 3.95 0.00 1.30 1.57 -0.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.88 3.94 0.00 1.62 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.53 7.81 78 K 7.75 3.98 0.00 1.86 1.83 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.57 7.81 79 K 8.15 2.00 0.00 1.12 0.74 0.00 1.37 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.41 0.96 7.81 80 G 7.69 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 81 H 7.64 4.55 0.00 3.13 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.52 4.92 0.00 3.25 3.41 0.00 5.48 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 3.92 0.00 2.04 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 2.39 2.34 0.00 84 A 7.88 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.04 4.07 0.00 1.96 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 2.32 2.29 0.00 86 L 8.26 4.11 0.00 1.74 1.80 0.67 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.22 3.83 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 88 P 0.00 4.29 0.00 2.23 2.10 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 89 L 7.93 4.04 0.00 1.78 1.93 1.07 1.03 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 90 A 8.08 4.07 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 91 Q 8.08 3.87 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.13 3.99 0.00 3.94 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 93 H 8.74 4.22 0.00 3.53 3.53 0.00 5.86 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 94 A 8.10 2.58 0.71 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 0.00 0.00 95 T 7.21 3.69 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 1.09 0.00 0.00 96 K 7.52 3.93 0.00 1.53 1.59 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.33 7.81 97 H 7.77 4.43 0.00 3.05 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.45 3.54 0.00 1.82 1.82 0.00 1.70 0.00 0.00 0.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.41 7.81 99 I 8.01 4.38 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 1.17 0.00 0.00 100 P 0.00 4.57 0.00 1.96 1.94 0.00 3.13 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.25 0.00 101 I 8.57 3.65 1.83 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 0.84 0.00 0.00 102 K 7.90 3.91 0.00 1.68 1.63 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.67 1.12 7.81 103 Y 7.95 4.03 0.00 3.24 3.05 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 0.00 104 L 7.89 4.20 0.00 1.83 1.80 0.70 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.23 4.04 0.00 2.11 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 2.35 2.47 0.00 106 F 8.05 4.56 0.00 3.19 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 0.00 107 I 8.25 3.88 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 1.15 0.00 0.00 108 S 8.33 4.19 0.00 4.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.52 4.00 0.00 2.14 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 2.39 2.56 0.00 110 A 8.05 4.02 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 0.00 111 I 8.10 3.67 2.10 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 1.61 0.74 1.04 0.00 0.00 112 I 7.84 3.81 2.11 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 1.73 1.12 1.13 0.00 0.00 113 H 8.51 4.08 0.00 3.51 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.99 3.53 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 0.94 0.00 0.00 0.96 0.00 0.00 115 L 7.93 3.72 0.00 1.14 0.21 0.71 0.52 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 0.00 116 H 8.28 4.38 0.00 3.39 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 0.00 117 S 7.86 3.98 0.00 3.88 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 0.00 118 R 7.84 4.06 0.00 1.56 1.50 0.00 2.65 0.00 0.00 2.58 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 119 H 8.01 5.12 0.00 3.29 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.37 0.00 2.15 2.09 0.00 3.36 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 121 G 8.06 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 0.00 0.00 0.00 122 D 8.06 4.98 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.16 5.22 0.00 2.89 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 0.00 124 G 7.72 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.32 3.85 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 0.00 126 D 7.91 4.18 0.00 2.64 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 0.00 127 A 7.69 3.99 1.22 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 0.00 0.00 0.00 128 Q 7.84 3.60 0.00 1.28 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 129 G 8.14 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.86 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 0.00 131 M 8.37 4.01 0.00 2.39 2.42 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.86 0.00 132 N 8.55 4.36 0.00 2.98 2.86 0.00 0.00 7.05 8.15 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 0.00 133 K 8.18 3.93 0.00 1.77 1.69 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.58 7.81 134 A 8.06 3.90 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 0.00 135 L 8.27 4.06 0.00 1.76 1.82 1.00 0.97 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 0.00 136 E 8.61 3.95 0.00 2.11 2.16 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 2.32 2.34 0.00 137 L 8.12 4.01 0.00 1.88 1.98 0.99 0.90 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 0.00 138 F 8.44 4.20 0.00 3.11 3.28 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 0.00 139 R 8.40 3.61 0.00 2.01 1.89 0.00 3.21 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.05 0.00 140 K 8.43 3.85 0.00 1.78 2.04 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 141 D 8.25 4.36 0.00 2.80 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 0.00 142 I 7.57 3.40 1.39 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.25 0.05 0.00 0.00 143 A 8.00 3.79 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 0.00 144 A 7.94 3.94 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 0.00 145 K 8.00 4.01 0.00 1.97 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.61 7.81 146 Y 8.50 4.42 0.00 3.11 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 0.00 147 K 8.41 3.98 0.00 1.95 1.98 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 148 E 8.05 3.97 0.00 2.18 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 0.00 2.34 2.37 0.00 149 L 8.04 4.24 0.00 1.87 1.72 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.77 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 0.00 151 Y 7.83 4.20 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.