NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3476 8.1832 117.5845 52.4700 38.8344 174.7886 2 L 4.1746 8.4100 117.1187 56.7473 41.3686 178.6138 3 F 4.0993 9.2375 121.9269 61.5238 39.7663 176.7645 4 Q 4.1078 8.9887 118.0069 58.8652 28.3916 178.3371 5 F 4.4269 8.4837 121.5923 61.2990 39.3683 177.0236 6 A 3.6535 8.3599 120.8047 55.0182 18.0449 179.7559 7 K 3.8812 7.7998 116.9732 59.7302 32.0899 179.5464 8 M 4.3355 8.1605 119.0533 58.4706 31.8373 178.8334 9 I 3.6298 7.8338 120.1015 64.6470 37.3356 178.4218 10 N 4.5806 8.5238 117.7055 56.0635 38.0534 177.7904 11 G 3.2061 8.2973 106.8576 46.8106 0.0000 175.1113 12 K 4.3404 8.0398 120.7611 58.0483 32.7247 177.7197 13 L 4.6256 8.1335 117.3241 52.8961 43.3805 176.0257 14 G 3.8782 7.2144 105.1877 43.7747 0.0000 172.7946 *16 A 3.8146 8.1531 121.6745 52.8819 19.1861 177.2297 17 F 4.2521 8.1838 117.9330 58.4824 37.2109 177.3886 18 S 4.1645 7.9251 118.7255 61.4502 62.3777 176.6997 19 V 3.5814 8.0926 122.3157 64.6562 30.5075 178.3372 20 W 4.5729 7.3438 118.2299 58.8889 28.6546 177.3839 21 N 4.5717 7.9695 115.2166 54.4675 37.9715 175.0089 22 Y 4.5713 7.4363 117.2122 57.6064 38.8812 176.7730 23 I 4.0115 7.6967 123.0450 64.4045 37.3950 175.9181 24 S 4.7869 7.7214 115.0802 58.0279 63.4838 172.1241 25 Y 4.7386 9.1012 129.3338 56.9594 42.2535 175.9005 26 G 3.7386 7.9504 116.2691 46.1314 0.0000 172.4411 27 C 4.4570 9.2891 115.1302 57.6940 40.9483 174.6814 28 Y 4.1140 8.7268 115.0715 57.6840 39.9982 175.1335 29 C 4.7175 8.6455 118.6793 57.5981 41.5515 172.9140 30 G 4.5942 8.6316 113.5825 47.2656 0.0000 176.3683 31 W 4.5815 9.2469 119.9400 56.1411 28.4925 174.8221 32 G 4.0813 7.4008 115.5099 44.9757 0.0000 171.9147 33 G 4.1235 9.2064 115.5013 44.8156 0.0000 172.6266 34 Q 4.4850 7.1929 115.7947 55.6330 31.6772 175.2522 35 G 4.0299 8.8598 105.7283 44.8846 0.0000 171.9263 36 T 4.5857 8.0613 115.3981 60.7839 70.4396 172.7818 37 P 4.6363 0.0000 0.0000 62.9980 31.8640 176.8625 38 K 4.0369 8.9284 122.0945 58.9550 32.6625 176.0490 39 D 4.5865 7.4609 115.5186 51.6775 41.7092 175.2045 40 A 4.0643 8.7949 119.6380 56.0504 18.4207 179.9707 41 T 3.9997 8.1008 113.7989 66.9766 68.5557 176.2166 42 D 4.6251 8.9959 120.1736 57.4303 41.1818 178.2882 43 R 3.9861 8.3421 119.4437 59.4469 30.0855 177.6566 44 C 4.2921 8.5552 116.6523 60.4201 39.8346 175.6235 45 C 4.4701 8.3893 117.5272 59.9251 40.7998 175.7783 46 F 3.8419 8.5148 122.4261 61.3671 38.8514 177.3468 47 V 3.2784 8.2119 118.1561 66.0751 31.1831 177.4136 48 H 3.8398 8.1214 117.9876 59.1796 29.6548 176.9965 49 D 4.1498 8.1767 120.9393 57.5750 40.4369 178.1575 50 C 4.0914 7.6103 115.8806 59.8627 35.1297 175.0801 51 C 4.2807 8.1541 120.4128 59.9898 39.9501 175.2760 52 Y 4.2379 8.1106 118.6294 61.0451 37.1948 178.7891 53 G 3.7176 8.0508 105.3697 46.8541 0.0000 174.9286 54 R 4.3950 7.4313 117.9959 55.3218 30.6502 176.4559 55 V 3.8078 7.0986 120.2780 62.2635 32.1559 175.2803 56 R 4.4883 8.3329 125.7357 54.4024 32.9657 176.6688 *58 G 4.2320 8.8635 109.6791 45.7254 0.0000 171.0406 59 C 4.4301 7.3463 112.1613 54.4325 41.6090 172.2393 *61 N 4.5138 8.3180 116.3760 53.1890 38.6854 172.4068 *68 P 4.1597 0.0000 0.0000 62.1443 33.2923 179.2167 69 K 4.0861 7.9839 118.1428 58.2812 32.2283 177.3167 70 L 4.5016 7.6018 115.9704 54.6577 43.4772 176.6980 71 A 3.9858 8.2240 122.5075 52.1040 18.6702 176.7532 72 I 4.2454 8.2518 123.5195 59.6691 38.5185 174.9459 73 Y 4.6971 7.5503 123.9394 55.3134 40.2184 174.4180 74 S 5.0200 10.0003 116.0620 57.2404 63.9748 172.4654 75 Y 5.1538 8.3210 123.6040 56.8653 40.8100 172.9303 76 S 4.1457 8.7677 113.1639 57.6954 66.8760 173.4974 77 F 5.0748 8.8205 119.2589 55.9883 40.5709 175.9582 78 K 4.4061 9.0657 122.9940 55.1431 33.8958 176.6290 79 K 3.6666 9.8518 126.0674 57.4656 29.4601 176.6943 80 G 4.0626 8.5803 105.5289 45.2528 0.0000 172.8595 81 N 4.9092 7.8704 119.0072 51.4874 40.5823 173.5663 82 I 3.8475 8.0471 126.4932 61.0947 38.1685 175.4224 83 V 4.3337 8.7756 127.0026 61.0256 34.2870 173.8742 84 C 4.7229 8.8941 126.1080 57.0582 40.6469 174.6491 85 G 3.8269 8.5714 114.2132 45.4071 0.0000 174.8708 86 K 4.2537 8.5103 114.8842 55.3003 30.6416 175.2957 *88 N 5.0098 7.7209 117.2488 53.0563 40.1808 173.6614 89 N 4.9851 8.4757 117.7405 52.6812 42.0865 175.1307 90 G 3.8340 8.3554 110.9494 46.2407 0.0000 175.4599 91 C 4.2195 8.9073 118.8988 58.4125 42.1890 175.3962 92 L 3.9542 7.7657 121.3711 57.5295 41.1051 179.4936 93 R 3.8409 7.7865 117.6313 59.4542 30.0908 178.7372 94 D 4.2790 7.9759 117.9073 57.4734 40.8438 178.9225 95 I 3.6514 7.7525 120.1684 64.4231 37.0298 177.5931 96 C 2.8241 7.8491 119.3203 59.2012 43.8903 175.2894 97 E 3.6669 8.0739 120.8751 59.2077 29.1832 177.9748 98 C 4.0657 8.0721 116.5779 60.2596 39.1483 175.9987 99 D 3.5088 7.7606 120.1973 56.8946 40.3007 178.7772 100 R 3.6998 7.9705 119.5501 59.4270 30.0845 178.7130 101 V 3.4443 7.7943 117.8917 65.8951 31.4196 177.8576 102 A 3.5975 7.8006 120.2434 54.8944 18.1664 179.4535 103 A 3.6330 8.1789 119.6735 55.3491 18.4094 179.6770 104 N 4.3271 8.2300 115.0503 56.3870 38.5254 176.9165 105 C 4.2992 8.1171 120.1440 59.6551 43.5112 175.5823 106 F 4.4625 7.9807 118.8173 60.8949 38.8527 176.8672 107 H 4.3244 8.3490 117.8853 59.3845 29.5149 177.0738 108 Q 4.1054 8.4781 120.5471 58.4942 29.0141 177.1457 109 N 4.9800 8.0211 115.6554 52.6907 38.9789 176.5562 110 K 3.9443 7.8548 123.2344 60.2153 32.5593 177.9577 111 N 4.9226 8.1644 114.2158 53.3924 38.2796 175.2343 112 T 4.5454 7.9480 106.9224 60.9893 69.6663 173.7014 113 Y 3.9006 7.7931 124.1339 58.2530 39.1916 174.8642 114 N 4.7634 9.1736 126.4079 51.4715 39.7075 175.1396 115 K 4.2364 8.6770 126.6224 59.4311 32.3204 178.7170 116 N 4.5241 8.1560 114.4956 54.9139 38.6785 175.0960 117 Y 4.6437 7.7863 116.3355 57.4826 38.3054 175.5613 118 K 4.2706 7.5657 120.0003 57.0739 33.0046 176.7474 119 F 4.2537 7.8956 119.3024 57.5112 36.9524 176.1264 120 L 4.2821 7.7043 118.5972 54.3926 42.8237 177.8019 121 S 4.5437 8.3576 116.4616 57.4374 64.2562 175.4058 122 S 4.0468 8.5577 116.1791 61.1903 62.7757 176.2380 *124 S 4.3450 7.8981 113.7727 57.9675 64.3995 174.5034 125 R 4.3282 7.8827 118.2340 56.9484 30.2799 175.6956 126 C 5.0599 8.0806 116.3293 56.7763 40.9779 174.0791 127 R 4.5043 7.9915 114.0393 56.4990 30.7444 177.0195 128 Q 4.4426 7.7045 116.0016 54.3114 30.5118 175.3720 129 T 4.0708 8.3451 116.3853 64.0779 68.5487 174.5526 130 S 4.3974 8.7218 122.8251 59.0410 63.3275 174.3758 131 E 4.1076 8.4457 125.4995 56.2576 30.1634 175.7695 132 Q 4.5423 8.5055 126.4106 55.0539 30.5505 176.2043 133 C 4.5072 8.7714 121.7272 57.4021 41.2875 173.5554 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 N 8.18 5.35 0.00 3.17 3.13 0.00 0.00 6.14 5.79 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 2 L 8.41 4.17 0.00 1.97 1.95 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.24 4.10 0.00 3.20 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 4 Q 8.99 4.11 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 5 F 8.48 4.43 0.00 3.29 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 6 A 8.36 3.65 1.12 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 0.00 0.00 7 K 7.80 3.88 0.00 2.09 2.07 0.00 1.73 0.00 0.00 1.50 0.00 0.00 2.46 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 1.63 7.81 8 M 8.16 4.34 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 9 I 7.83 3.63 1.74 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.34 0.80 0.00 0.00 10 N 8.52 4.58 0.00 2.54 2.68 0.00 0.00 6.99 7.18 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 11 G 8.30 3.21 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 12 K 8.04 4.34 0.00 2.10 1.96 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.45 1.54 7.81 13 L 8.13 4.63 0.00 1.73 1.71 1.08 0.97 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 14 G 7.21 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 *16 A 8.15 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.18 4.25 0.00 3.41 3.41 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 18 S 7.93 4.16 0.00 4.05 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 19 V 8.09 3.58 1.74 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 -0.44 0.00 0.00 0.54 0.00 0.00 20 W 7.34 4.57 0.00 3.48 3.27 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 21 N 7.97 4.57 0.00 1.98 2.01 0.00 0.00 6.80 6.88 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 22 Y 7.44 4.57 0.00 2.92 2.82 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 23 I 7.70 4.01 2.09 0.00 0.00 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 1.61 1.40 1.14 0.00 0.00 24 S 7.72 4.79 0.00 4.03 3.72 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 25 Y 9.10 4.74 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 26 G 7.95 3.74 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 0.00 0.00 0.00 27 C 9.29 4.46 0.00 2.90 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 28 Y 8.73 4.11 0.00 3.33 3.17 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 0.00 29 C 8.65 4.72 0.00 3.53 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 30 G 8.63 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 31 W 9.25 4.58 0.00 3.38 3.39 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 32 G 7.40 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 0.00 0.00 0.00 33 G 9.21 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 0.00 0.00 0.00 34 Q 7.19 4.48 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.13 2.44 0.00 35 G 8.86 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 0.00 0.00 0.00 36 T 8.06 4.59 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 37 P 0.00 4.64 0.00 1.93 2.06 0.00 3.47 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 38 K 8.93 4.04 0.00 1.18 1.13 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.21 0.45 7.81 39 D 7.46 4.59 0.00 3.01 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 40 A 8.79 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.00 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 1.03 0.00 0.00 42 D 9.00 4.63 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.34 3.99 0.00 1.97 2.15 0.00 3.19 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 44 C 8.56 4.29 0.00 3.55 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 45 C 8.39 4.47 0.00 3.50 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 46 F 8.51 3.84 0.00 2.59 3.08 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 47 V 8.21 3.28 2.17 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 0.93 0.00 0.00 0.98 0.00 0.00 48 H 8.12 3.84 0.00 3.14 3.32 0.00 5.64 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 49 D 8.18 4.15 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.61 4.09 0.00 2.75 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 51 C 8.15 4.28 0.00 2.96 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 52 Y 8.11 4.24 0.00 3.01 2.85 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 53 G 8.05 3.72 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 0.00 0.00 0.00 54 R 7.43 4.39 0.00 1.91 1.94 0.00 3.11 0.00 0.00 3.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 55 V 7.10 3.81 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 0.71 0.00 0.00 0.93 0.00 0.00 56 R 8.33 4.49 0.00 1.80 1.74 0.00 3.35 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 *58 G 8.86 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 0.00 0.00 0.00 59 C 7.35 4.43 0.00 3.05 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 *61 N 8.32 4.51 0.00 2.73 2.77 0.00 0.00 7.66 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 *68 P 0.00 4.16 0.00 1.29 0.49 0.00 3.50 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 69 K 7.98 4.09 0.00 1.76 2.01 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.48 7.81 70 L 7.60 4.50 0.00 1.62 1.66 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.22 3.99 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 72 I 8.25 4.25 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.83 0.00 0.00 73 Y 7.55 4.70 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 10.00 5.02 0.00 3.91 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 75 Y 8.32 5.15 0.00 3.13 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 76 S 8.77 4.15 0.00 3.81 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 F 8.82 5.07 0.00 2.91 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 78 K 9.07 4.41 0.00 1.76 1.72 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 79 K 9.85 3.67 0.00 1.89 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.43 7.81 80 G 8.58 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 0.00 0.00 0.00 81 N 7.87 4.91 0.00 2.83 2.80 0.00 0.00 7.09 7.93 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 82 I 8.05 3.85 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.07 0.71 0.00 0.00 83 V 8.78 4.33 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 0.96 0.00 0.00 0.94 0.00 0.00 84 C 8.89 4.72 0.00 2.82 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 85 G 8.57 3.83 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 0.00 86 K 8.51 4.25 0.00 1.84 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.46 7.81 *88 N 7.72 5.01 0.00 2.73 2.86 0.00 0.00 7.16 8.00 0.00 0.00 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 N 8.48 4.99 0.00 2.73 2.69 0.00 0.00 6.96 7.73 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 90 G 8.36 3.83 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 0.00 91 C 8.91 4.22 0.00 3.12 3.35 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 92 L 7.77 3.95 0.00 1.83 1.85 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.79 3.84 0.00 1.91 1.92 0.00 3.10 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 1.67 1.63 0.00 94 D 7.98 4.28 0.00 2.82 2.66 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 95 I 7.75 3.65 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.93 0.00 0.00 96 C 7.85 2.82 0.00 2.17 2.82 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 97 E 8.07 3.67 0.00 2.07 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 2.22 2.28 0.00 98 C 8.07 4.07 0.00 3.19 2.88 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 99 D 7.76 3.51 0.00 2.61 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 0.00 100 R 7.97 3.70 0.00 1.73 1.90 0.00 3.15 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 101 V 7.79 3.44 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 0.86 0.00 0.00 0.89 0.00 0.00 102 A 7.80 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.18 3.63 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 0.00 104 N 8.23 4.33 0.00 2.81 2.85 0.00 0.00 6.67 7.18 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 0.00 105 C 8.12 4.30 0.00 3.06 3.07 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 0.00 106 F 7.98 4.46 0.00 2.97 2.82 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 0.00 107 H 8.35 4.32 0.00 3.27 3.51 0.00 5.59 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 0.00 108 Q 8.48 4.11 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 109 N 8.02 4.98 0.00 3.00 2.88 0.00 0.00 6.68 7.90 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 0.00 110 K 7.85 3.94 0.00 1.98 2.23 0.00 1.27 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.41 7.81 111 N 8.16 4.92 0.00 2.76 2.90 0.00 0.00 6.69 7.54 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 0.00 112 T 7.95 4.55 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 1.27 0.00 0.00 113 Y 7.79 3.90 0.00 2.95 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 0.00 114 N 9.17 4.76 0.00 2.51 2.25 0.00 0.00 6.80 6.78 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 0.00 115 K 8.68 4.24 0.00 1.89 1.94 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 1.65 7.81 116 N 8.16 4.52 0.00 2.50 2.72 0.00 0.00 6.93 6.77 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 0.00 117 Y 7.79 4.64 0.00 1.92 1.82 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 0.00 118 K 7.57 4.27 0.00 1.80 1.11 0.00 2.09 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.52 7.81 119 F 7.90 4.25 0.00 3.19 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 0.00 120 L 7.70 4.28 0.00 1.59 1.56 0.69 1.05 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 0.00 121 S 8.36 4.54 0.00 4.01 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 0.00 122 S 8.56 4.05 0.00 4.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.34 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 0.00 125 R 7.88 4.33 0.00 1.89 1.95 0.00 3.26 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 126 C 8.08 5.06 0.00 2.91 3.13 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 0.00 127 R 7.99 4.50 0.00 1.78 1.93 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.88 0.00 128 Q 7.70 4.44 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 129 T 8.35 4.07 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 0.00 130 S 8.72 4.40 0.00 3.83 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 0.00 131 E 8.45 4.11 0.00 1.64 1.13 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 2.14 2.15 0.00 132 Q 8.51 4.54 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 133 C 8.77 4.51 0.00 2.96 2.87 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 * Residues marked with a * may have inaccurate shift predictions.