NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4057 8.1885 115.4137 57.7421 64.7520 174.3992 2 A 3.7653 8.5164 122.5360 54.8063 18.0751 178.3074 3 A 3.9027 8.3845 120.6997 55.3311 18.9487 177.8624 4 A 3.9313 7.8755 118.5489 55.2656 18.4614 179.6558 5 A 3.9596 8.0002 119.2230 55.3933 18.3804 179.9293 6 L 3.9865 7.9683 117.4718 57.9060 41.5949 179.7887 7 R 3.9397 8.1566 118.0887 59.5684 29.9545 178.8968 8 D 4.3685 8.2202 118.5522 57.2031 40.7451 178.6595 9 Q 4.0002 8.1796 118.6757 59.0693 28.7117 178.8969 10 L 4.0001 8.1935 121.3032 58.4162 42.0294 179.0873 11 T 3.8899 8.3414 115.8292 66.4869 68.4099 176.3477 12 A 3.9964 8.2073 122.7523 55.1035 18.4623 179.2074 13 L 3.8847 8.0759 118.7419 58.4893 42.3199 179.0107 14 L 4.1313 8.2294 118.8995 58.0888 41.5757 179.5707 15 S 4.2881 8.5497 113.4074 61.5417 62.2651 176.4330 16 S 4.4287 8.1904 118.2645 61.0755 62.7471 176.3300 17 M 3.8930 8.2064 122.3857 58.2847 31.7190 178.7543 18 F 4.3035 8.2750 117.8193 60.4930 39.0425 178.0604 19 S 4.2838 8.7192 113.5997 60.9787 63.1366 175.4997 20 Q 4.2222 8.3175 118.3232 55.8863 28.6061 176.6590 21 G 3.9730 7.9827 106.2236 45.7876 0.0000 174.8748 22 L 4.0570 7.9138 121.9101 56.3702 41.9240 177.4945 23 V 5.1581 7.3519 108.7528 58.2052 35.3389 174.5538 24 D 5.3713 7.9511 121.5822 51.4667 42.1129 175.9748 25 E 4.2215 8.9756 115.8259 60.4258 29.0530 178.8604 26 Q 4.0406 8.7272 119.0276 58.6390 28.5329 178.4565 27 F 4.1707 8.4297 122.0737 61.0242 39.5763 176.8884 28 Q 4.1407 8.6513 118.8799 59.6838 28.8536 178.5166 29 Q 4.0727 8.4227 118.7789 58.7639 28.6304 178.7925 30 L 4.1102 7.5280 120.4191 57.9690 41.6620 179.5465 31 Q 3.9887 7.6635 117.9750 58.9960 28.3247 178.7849 32 M 4.0403 7.6195 118.7946 58.2055 32.0923 178.1095 33 L 4.0268 8.1466 118.4646 58.1571 41.9357 179.2432 34 Q 4.0005 7.9257 117.8196 58.6661 30.0625 177.0669 35 D 4.5999 7.6885 120.4063 52.6533 39.0520 176.9045 *39 T 4.0587 7.1941 113.8382 61.0286 68.6799 172.4773 40 P 4.3246 0.0000 0.0000 65.0626 31.7258 177.2206 41 G 4.0890 7.9541 106.6021 45.2440 0.0000 174.7238 42 F 4.1787 8.4198 123.4401 61.2951 39.1777 177.2572 43 V 3.2254 7.8614 116.9785 66.1482 31.2881 177.8748 44 S 4.0287 7.9896 114.1833 61.7482 62.6565 176.5066 45 E 3.9088 8.1023 121.2231 59.1311 29.0828 179.5087 46 V 3.3523 7.5160 118.4092 65.9223 31.4685 178.3407 47 V 3.2825 7.6898 118.0546 66.0282 31.2922 177.9575 48 T 3.8359 7.8785 115.5448 66.7051 68.3304 176.2574 49 L 3.9509 8.0054 122.0863 58.0192 42.0741 178.6875 50 F 4.1163 8.4872 120.8207 61.4669 39.3623 176.7362 51 C 4.2388 8.4359 116.4206 63.0390 27.9615 175.7435 52 D 4.3479 8.0451 120.1481 57.6535 40.4070 178.8509 53 D 4.2013 8.3553 119.2470 57.1593 40.7644 178.6854 54 A 3.4966 7.6766 121.5973 54.9802 18.2234 179.0607 55 D 3.8353 7.4890 116.4258 57.2855 41.1910 178.4567 56 R 3.7614 7.9012 119.1009 59.5108 30.0055 178.6440 57 I 3.4510 7.6984 119.6171 64.2292 37.0006 178.2536 58 I 3.5566 7.7263 121.0645 64.7226 36.9416 178.2535 59 N 4.2827 7.9993 116.9690 56.1655 38.2952 177.4470 60 E 3.7379 7.9911 120.1676 59.1634 29.4344 179.3099 61 I 3.4981 7.5596 119.8323 64.2665 36.9717 177.9573 62 A 4.0050 7.8546 120.3864 55.8129 18.4389 179.4814 63 T 3.9267 7.7662 113.7835 66.8513 68.5938 176.8344 64 L 3.9912 7.8766 120.7827 57.6904 41.4423 179.0700 65 L 4.2409 7.7600 116.5549 56.0992 41.8810 178.0406 66 E 4.2646 7.6137 117.0766 56.2375 30.1136 176.6185 67 Q 4.2866 7.0851 118.0558 54.5785 29.7535 174.3095 68 P 4.3200 0.0000 0.0000 65.0015 31.5387 177.0430 69 V 4.2691 7.5372 116.5337 60.7626 33.0924 174.6098 70 V 3.7205 8.0959 127.0566 61.8612 32.3671 175.8838 71 N 4.5745 8.1524 125.5298 52.5502 38.3232 175.2412 72 F 4.3218 8.3564 126.7928 60.0732 39.2477 176.8982 73 D 4.4438 8.2863 118.5432 57.1463 40.5696 178.4448 74 K 3.9259 8.2892 119.8958 59.0843 32.1352 178.8267 75 V 3.6651 7.8080 118.7676 66.2678 31.3217 177.4977 76 D 4.2680 8.2943 117.1409 57.2762 41.1166 177.9097 77 A 3.9256 8.0581 121.1988 55.5042 18.3460 179.2385 78 Y 4.0497 8.2078 115.4754 61.2265 37.8572 178.9088 79 V 3.4003 8.0541 119.5253 66.2097 31.4810 177.5797 80 H 4.1287 8.4822 118.1562 59.1925 29.6120 177.2178 81 Q 3.9667 8.1505 119.9007 59.0201 28.5177 178.7157 82 L 3.9348 8.0806 121.2988 57.7621 41.9969 178.7254 83 K 3.9632 8.4636 120.2625 59.5133 32.2473 178.9668 84 G 3.5550 8.1141 106.0458 47.8652 0.0000 175.8114 85 S 4.2658 8.3746 117.4255 61.1765 62.8948 176.7705 86 S 4.0046 8.6669 118.9041 61.2547 62.6058 176.3476 87 A 3.8997 8.1728 123.6213 55.4942 17.8973 179.9601 88 S 4.1693 7.8449 111.9404 60.9932 62.9798 176.2857 89 V 4.1010 7.3488 112.5063 60.6374 31.8972 176.6830 90 G 3.8155 7.9050 107.4874 46.5700 0.0000 174.1037 91 A 4.7092 7.7979 124.2408 50.5349 15.5523 178.6770 92 Q 3.5681 7.9365 123.9793 58.3227 29.1362 179.2159 93 K 4.0813 7.7884 120.1009 59.0953 32.2029 179.2630 94 V 3.6264 7.6685 118.1263 65.7860 31.5857 177.6329 95 K 3.8141 7.8959 119.2712 59.8129 31.8836 178.7832 96 F 4.6130 7.9783 118.1654 60.8080 38.7491 177.9032 97 T 4.0474 8.1734 115.6431 66.8973 68.0526 176.3675 98 C 4.3074 8.1761 117.5774 63.1607 28.3483 175.7405 99 M 4.2729 8.1571 120.1111 58.7001 31.6214 178.6980 100 Q 4.0767 8.1351 119.3421 58.9422 29.0420 177.7148 101 F 4.4847 8.3774 121.9377 61.4075 39.2997 177.0599 102 R 4.0119 7.8441 116.4872 59.4318 29.7709 178.5260 103 Q 3.8101 7.8843 119.1280 59.2958 28.8952 178.5890 104 F 4.4287 7.1042 118.5314 60.6077 38.8457 177.5535 105 C 4.2987 8.1648 116.2523 62.8569 27.8650 175.6195 106 Q 3.9547 8.0349 120.1766 59.1832 28.7614 177.5169 107 D 4.3737 8.3433 118.0358 54.1557 41.8035 176.0373 108 K 2.0000 7.1142 118.4920 57.0350 30.1733 176.3928 109 S 4.5469 7.5799 113.5601 56.2953 63.3735 174.0183 110 R 4.2255 8.9658 128.7837 59.9084 29.9337 177.9289 111 D 4.4409 8.2008 118.2427 57.1014 40.7802 178.8881 112 G 3.0456 7.9839 106.3365 47.6958 0.0000 175.5157 113 C 3.8444 8.1445 119.3533 62.5136 28.1959 176.2862 114 L 3.9984 8.1920 120.8122 58.1216 41.0583 179.5703 115 M 3.9700 7.9155 118.3843 58.0313 31.7539 178.7002 116 A 3.7595 7.7370 121.5049 54.8578 18.3059 179.4654 117 L 4.1047 8.0441 119.1199 58.1358 42.0806 179.0008 118 A 4.0074 7.9806 120.9752 55.1735 18.2186 179.7970 119 V 3.5516 7.6321 116.6543 65.9960 31.5745 178.2575 120 V 3.6957 8.1984 118.3664 66.2636 31.3484 178.2932 121 R 4.1507 8.3579 117.8595 59.2986 29.9666 178.5381 122 N 4.3974 8.4113 116.4492 56.8368 38.7032 177.2386 123 D 4.3994 8.4790 120.2107 57.1527 40.8378 178.6832 124 F 4.1713 8.7400 121.6798 61.6362 39.4279 176.9308 125 Y 3.6471 8.4873 116.6141 60.6897 37.7212 178.0796 126 D 4.2654 8.1170 120.0278 57.4052 40.9039 178.6927 127 L 3.6323 7.5623 120.5696 57.7842 41.9184 178.6905 128 R 3.6920 8.0229 119.1072 59.1821 29.9199 177.7961 129 N 4.2198 7.9196 116.7800 56.8600 38.8691 177.0367 130 K 3.9654 7.4136 118.3759 59.3825 32.0471 179.3374 131 F 4.5695 8.2180 118.4645 60.8966 38.8388 177.8192 132 Q 4.0431 8.5734 117.9225 59.2181 28.5015 178.7558 133 T 3.8662 7.8236 116.4133 66.8115 68.4172 176.1175 134 M 4.0598 8.4194 120.3098 58.7924 32.2794 178.1798 135 L 3.9501 8.1524 119.0583 57.8180 41.8204 179.3287 136 Q 3.9453 8.0516 119.2720 59.1810 29.0561 178.2584 137 L 3.9803 8.0600 119.9379 57.8916 41.6462 179.2421 138 E 3.9850 8.9266 118.9991 59.6090 29.4988 179.2323 139 Q 4.0164 8.4957 118.2582 59.4796 28.6363 179.5385 140 Q 4.0436 7.8151 117.1297 58.9083 28.7687 178.6684 141 I 3.8923 7.7070 120.0729 64.5745 37.2874 178.3427 142 Q 4.1169 8.3618 117.6972 58.4138 28.5399 176.8945 143 A 4.3004 7.7567 125.6814 52.5129 18.5879 176.9185 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 S 8.19 4.41 0.00 4.02 4.08 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 0.00 0.00 0.00 0.00 2 A 8.52 3.77 1.37 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 0.00 0.00 3 A 8.38 3.90 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 4 A 7.88 3.93 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 5 A 8.00 3.96 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 6 L 7.97 3.99 0.00 1.89 1.74 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.16 3.94 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 8 D 8.22 4.37 0.00 2.87 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 9 Q 8.18 4.00 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 10 L 8.19 4.00 0.00 1.79 1.86 1.00 1.18 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 11 T 8.34 3.89 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 1.24 0.00 0.00 12 A 8.21 4.00 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.08 3.88 0.00 1.80 1.90 0.92 0.67 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 14 L 8.23 4.13 0.00 1.92 2.10 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.55 4.29 0.00 3.93 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 0.00 0.00 0.00 16 S 8.19 4.43 0.00 4.12 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 0.00 17 M 8.21 3.89 0.00 1.68 2.10 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.34 0.00 18 F 8.28 4.30 0.00 3.32 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 19 S 8.72 4.28 0.00 4.02 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 0.00 20 Q 8.32 4.22 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 21 G 7.98 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 22 L 7.91 4.06 0.00 1.58 1.43 0.75 0.54 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 23 V 7.35 5.16 1.54 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 -0.09 0.00 0.00 -0.37 0.00 0.00 24 D 7.95 5.37 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.98 4.22 0.00 2.30 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 2.45 2.48 0.00 26 Q 8.73 4.04 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 27 F 8.43 4.17 0.00 3.23 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 28 Q 8.65 4.14 0.00 2.44 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 29 Q 8.42 4.07 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 30 L 7.53 4.11 0.00 1.46 1.53 0.75 0.77 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 31 Q 7.66 3.99 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 1.95 2.28 0.00 32 M 7.62 4.04 0.00 2.01 2.25 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 2.62 2.82 0.00 33 L 8.15 4.03 0.00 1.91 1.63 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.93 4.00 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.61 0.00 0.00 0.00 0.00 0.00 2.41 2.78 0.00 35 D 7.69 4.60 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 *39 T 7.19 4.06 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 1.35 0.00 0.00 40 P 0.00 4.32 0.00 2.23 2.18 0.00 3.80 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 2.01 1.97 0.00 41 G 7.95 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 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.42 4.18 0.00 3.16 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 43 V 7.86 3.23 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 0.93 0.00 0.00 0.89 0.00 0.00 44 S 7.99 4.03 0.00 4.02 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 45 E 8.10 3.91 0.00 2.04 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 2.51 2.47 0.00 46 V 7.52 3.35 1.72 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 0.86 0.00 0.00 -0.06 0.00 0.00 47 V 7.69 3.28 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 0.29 0.00 0.00 0.22 0.00 0.00 48 T 7.88 3.84 4.35 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 1.21 0.00 0.00 49 L 8.01 3.95 0.00 1.85 1.84 0.92 0.76 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 50 F 8.49 4.12 0.00 3.25 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 51 C 8.44 4.24 0.00 3.25 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 52 D 8.05 4.35 0.00 2.84 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 53 D 8.36 4.20 0.00 2.70 2.59 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 54 A 7.68 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.49 3.84 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.90 3.76 0.00 1.93 1.99 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 57 I 7.70 3.45 1.70 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 1.62 0.57 0.88 0.00 0.00 58 I 7.73 3.56 1.79 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.90 0.00 0.00 59 N 8.00 4.28 0.00 2.80 2.80 0.00 0.00 7.09 7.78 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 60 E 7.99 3.74 0.00 1.16 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 2.36 2.20 0.00 61 I 7.56 3.50 1.94 0.00 0.00 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 1.37 0.55 0.99 0.00 0.00 62 A 7.85 4.01 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 63 T 7.77 3.93 4.32 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 1.18 0.00 0.00 64 L 7.88 3.99 0.00 1.84 1.67 1.10 0.61 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 65 L 7.76 4.24 0.00 1.79 1.73 1.09 0.88 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 66 E 7.61 4.26 0.00 2.08 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 2.30 2.44 0.00 67 Q 7.09 4.29 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 68 P 0.00 4.32 0.00 2.03 2.12 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 69 V 7.54 4.27 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 0.80 0.00 0.00 0.94 0.00 0.00 70 V 8.10 3.72 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 0.00 0.00 -0.25 0.00 0.00 0.76 0.00 0.00 71 N 8.15 4.57 0.00 2.75 2.66 0.00 0.00 7.23 7.71 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 72 F 8.36 4.32 0.00 3.19 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 73 D 8.29 4.44 0.00 2.88 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 74 K 8.29 3.93 0.00 1.86 1.94 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.33 7.81 75 V 7.81 3.67 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 1.17 0.00 0.00 0.94 0.00 0.00 76 D 8.29 4.27 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.06 3.93 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 Y 8.21 4.05 0.00 3.06 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 79 V 8.05 3.40 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 0.84 0.00 0.00 -0.15 0.00 0.00 80 H 8.48 4.13 0.00 3.30 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.15 3.97 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 82 L 8.08 3.93 0.00 1.71 1.77 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.46 3.96 0.00 1.94 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.63 7.81 84 G 8.11 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 85 S 8.37 4.27 0.00 4.30 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 0.00 86 S 8.67 4.00 0.00 4.07 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 87 A 8.17 3.90 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 88 S 7.84 4.17 0.00 4.04 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 89 V 7.35 4.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 -0.05 0.00 0.00 90 G 7.90 3.82 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 0.00 91 A 7.80 4.71 1.16 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 0.00 0.00 92 Q 7.94 3.57 0.00 2.09 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 93 K 7.79 4.08 0.00 1.81 1.94 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.62 7.81 94 V 7.67 3.63 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 1.14 0.00 0.00 1.07 0.00 0.00 95 K 7.90 3.81 0.00 1.69 1.49 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.40 7.81 96 F 7.98 4.61 0.00 3.14 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 97 T 8.17 4.05 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 98 C 8.18 4.31 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 M 8.16 4.27 0.00 2.20 2.51 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.65 0.00 100 Q 8.14 4.08 0.00 2.16 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 101 F 8.38 4.48 0.00 3.53 3.16 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 0.00 102 R 7.84 4.01 0.00 1.95 2.00 0.00 3.23 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 103 Q 7.88 3.81 0.00 1.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 104 F 7.10 4.43 0.00 3.22 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 0.00 105 C 8.16 4.30 0.00 3.26 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 0.00 106 Q 8.03 3.95 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 107 D 8.34 4.37 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 0.00 108 K 7.11 2.00 0.00 1.60 1.30 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.10 1.30 7.81 109 S 7.58 4.55 0.00 3.83 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 0.00 110 R 8.97 4.23 0.00 2.14 2.03 0.00 3.27 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 111 D 8.20 4.44 0.00 2.78 2.64 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 0.00 112 G 7.98 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 0.00 0.00 0.00 113 C 8.14 3.84 0.00 3.38 3.32 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 0.00 114 L 8.19 4.00 0.00 1.76 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 M 7.92 3.97 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 116 A 7.74 3.76 0.42 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 0.00 0.00 0.00 117 L 8.04 4.10 0.00 2.05 1.86 1.13 1.06 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 0.00 118 A 7.98 4.01 1.37 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 0.00 0.00 119 V 7.63 3.55 2.23 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 1.13 0.00 0.00 0.99 0.00 0.00 120 V 8.20 3.70 2.41 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 1.02 0.00 0.00 1.28 0.00 0.00 121 R 8.36 4.15 0.00 2.24 2.29 0.00 3.30 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 122 N 8.41 4.40 0.00 2.96 2.93 0.00 0.00 7.07 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 0.00 123 D 8.48 4.40 0.00 2.76 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 0.00 124 F 8.74 4.17 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.49 3.65 0.00 3.12 2.94 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 0.00 126 D 8.12 4.27 0.00 2.80 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 0.00 127 L 7.56 3.63 0.00 1.47 1.32 0.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.02 3.69 0.00 0.79 1.48 0.00 2.67 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 129 N 7.92 4.22 0.00 2.84 2.94 0.00 0.00 7.20 6.10 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 0.00 130 K 7.41 3.97 0.00 1.70 1.69 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.45 7.81 131 F 8.22 4.57 0.00 3.12 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 0.00 132 Q 8.57 4.04 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 133 T 7.82 3.87 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 1.23 0.00 0.00 134 M 8.42 4.06 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 135 L 8.15 3.95 0.00 1.92 1.72 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.05 3.95 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 137 L 8.06 3.98 0.00 1.92 1.73 0.96 0.82 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 0.00 138 E 8.93 3.98 0.00 2.09 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 2.47 2.54 0.00 139 Q 8.50 4.02 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 140 Q 7.82 4.04 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 141 I 7.71 3.89 2.01 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 1.54 0.59 0.93 0.00 0.00 142 Q 8.36 4.12 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 143 A 7.76 4.30 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 * Residues marked with a * may have inaccurate shift predictions.