NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3893 8.2649 123.5841 51.9018 19.7746 176.6152 10 R 4.2103 7.7189 120.6388 51.9154 31.8720 177.0099 11 F 5.7649 8.6395 130.1949 58.1693 38.0277 174.3070 12 R 4.3456 7.1857 118.9682 56.7302 30.3755 177.3801 13 K 4.0949 7.8613 117.4468 58.1859 32.4618 177.3058 14 V 4.1047 7.6140 118.8174 60.6967 32.4624 177.1491 15 D 4.6623 8.5236 125.5475 52.4754 38.5336 175.8638 16 V 3.8482 8.1921 123.5286 66.0089 31.7826 177.0105 17 G 3.7715 8.3095 104.5611 47.8223 0.0000 174.7802 18 E 4.0603 8.2242 119.1437 58.0122 29.2847 176.9517 19 Y 4.6906 7.7847 116.1723 57.4417 39.4197 174.6148 20 D 4.6146 8.2563 121.2190 53.5074 41.5278 175.6096 21 E 4.1723 8.4839 129.3813 53.8321 27.9543 174.4918 22 N 4.4955 7.6047 118.4850 52.4927 43.3362 176.5901 23 K 4.3580 7.8670 120.1918 55.8502 32.9859 175.2261 24 F 5.0493 8.4749 117.9366 56.7919 42.6320 175.2491 25 V 4.1696 6.4499 123.3956 61.2614 35.2420 174.4714 26 D 4.5216 7.8200 129.9278 53.8729 42.2829 177.4157 *36 G 3.9406 8.5020 114.3813 46.8541 0.0000 168.1916 37 P 4.7002 0.0000 0.0000 61.9512 33.7956 175.2751 38 D 4.6021 8.4477 120.2425 53.2068 41.1898 176.4668 39 E 4.0102 8.9481 128.6608 59.5115 29.5475 178.8685 40 G 3.5809 8.0943 105.1608 47.6560 0.0000 175.1805 41 E 4.0266 8.2109 121.6976 58.8740 29.5337 179.2631 42 V 3.5808 7.7802 118.3459 66.1580 31.6167 177.6245 43 D 4.3413 8.0255 118.6777 57.4495 40.1147 178.7327 44 S 4.0667 8.4722 113.8853 61.9065 62.4825 176.2009 45 C 4.2396 7.8380 118.6775 62.4381 27.7372 176.1151 46 L 4.0074 8.0499 120.9955 57.8546 40.9780 179.7138 47 R 3.9648 8.0996 117.3641 58.9414 30.1235 178.2772 48 Q 4.2532 7.6499 114.6770 55.9439 29.0319 177.1095 49 G 3.8659 7.5957 108.5367 46.0293 0.0000 175.1566 50 N 4.6192 7.7168 118.3797 52.4118 37.1717 175.6293 51 M 4.0110 7.9995 124.5230 58.6389 32.3845 177.9148 52 T 4.1482 8.1389 115.1028 66.9035 68.4493 176.2829 53 A 3.9993 8.0275 121.7466 55.0960 18.5486 179.2679 54 A 3.9549 7.8087 119.5034 55.1301 18.5038 179.4494 55 L 3.8755 8.0625 118.7296 58.6876 42.0604 179.4069 56 Q 4.0932 7.8095 115.7217 58.3983 28.6500 178.2003 57 A 4.2579 7.7350 121.5807 54.4365 18.8044 179.2933 58 A 3.9648 7.9888 118.3092 54.4540 18.4010 178.0868 59 L 4.4330 7.3621 115.8423 54.7068 41.6625 176.2518 60 K 4.4058 7.4868 119.9555 56.0253 34.4013 176.0145 61 N 4.1525 8.7256 120.7301 53.5225 35.9921 172.5260 62 P 4.5811 0.0000 0.0000 62.3316 32.3495 177.1253 63 P 4.6450 0.0000 0.0000 62.1839 30.0549 178.3579 64 I 3.8561 7.7751 119.4689 63.5390 37.3964 176.9893 65 N 4.9500 7.9855 115.1505 52.7423 39.7953 174.4081 66 T 4.3511 7.3692 107.9641 60.9164 70.0356 175.0956 67 K 4.1807 8.4885 122.7207 58.6556 33.1172 178.1579 68 S 4.3114 7.8063 113.8943 58.1614 63.7888 174.6751 69 Q 4.3254 8.6668 121.6240 56.8718 28.4879 178.1973 70 A 4.0028 7.6024 122.4868 55.1930 18.7012 180.2329 71 V 3.6063 7.6074 117.3305 64.7400 31.3597 178.8387 72 K 3.9937 7.9367 118.6412 59.4949 32.1164 178.9112 73 D 4.3968 8.2160 118.9334 57.0605 40.6117 179.1032 74 R 3.7886 7.7053 119.4383 59.3642 30.2292 178.0543 75 A 4.0694 7.9864 120.5854 55.2409 18.3540 179.7454 76 G 3.6470 8.4952 104.2957 48.0990 0.0000 175.8721 77 S 4.0850 7.8882 117.8669 61.3427 62.6602 176.8798 78 I 3.5965 7.3911 120.7563 64.4413 37.2508 178.3197 79 V 3.4086 7.3914 118.8523 65.8334 31.2431 177.7918 80 L 3.7655 8.1639 120.4226 57.8753 41.5818 178.7056 81 K 4.0486 8.3130 119.5017 58.5664 31.8480 178.5849 82 V 3.7129 7.2041 117.4517 65.1890 31.7494 177.6138 83 L 3.9741 7.4838 117.6518 57.7660 41.7978 178.9461 84 I 4.0587 7.7057 119.7310 64.4302 36.7676 178.4182 85 S 4.2751 7.5160 110.9538 58.4832 62.5873 173.8975 86 F 4.7147 7.6979 120.6640 55.6824 41.0888 175.3895 87 K 4.3525 8.3965 122.2045 55.3603 32.9106 177.3573 88 A 3.7804 8.3396 126.2447 56.1879 18.7087 178.7199 89 N 4.6051 8.0329 109.9520 54.5503 38.6101 176.0979 90 D 4.8936 8.6201 118.4949 54.1899 41.4697 178.1485 91 I 2.9681 7.3404 122.5516 63.9314 37.2578 177.3537 92 E 3.7682 7.9914 119.7173 59.3161 29.0240 178.5574 93 K 3.8339 7.9652 117.0624 59.6197 32.6630 177.8196 94 A 4.2193 7.5470 120.4199 55.2179 18.3013 179.6069 95 V 3.5840 7.8257 116.5552 66.4136 31.4950 178.0226 96 Q 4.2478 7.7879 114.5197 57.3481 28.5947 177.5498 97 S 4.5392 7.7206 114.4925 57.8279 63.9516 173.8953 98 L 4.5931 7.2567 122.8609 53.6636 43.3315 176.2388 99 D 4.8048 8.1490 120.7968 51.9636 42.4329 177.4614 100 K 3.8453 8.5688 119.2204 60.1803 32.0081 179.0921 101 N 4.4481 8.2806 115.9087 56.1955 38.4453 177.6079 102 G 3.6061 8.2141 107.2001 47.6632 0.0000 175.9497 103 V 3.6257 8.2055 121.2674 65.8914 31.3893 177.7767 104 D 4.3573 8.4233 118.9498 57.3727 40.5635 178.6824 105 L 3.9109 8.0520 120.7730 57.7997 42.0274 178.5015 106 L 3.9853 8.5357 120.7033 58.6703 42.1654 178.4349 107 M 4.0327 8.2486 117.9771 58.9814 31.5859 178.3463 108 K 4.0201 7.8334 118.0312 59.6403 32.1452 179.0082 109 Y 4.1364 7.6495 116.7758 60.9591 37.9155 178.1486 110 I 3.4203 7.9622 120.9466 64.7970 37.0417 178.1151 111 Y 4.1984 7.7842 115.2583 60.3427 37.9058 178.1512 112 K 4.2918 7.8264 120.8540 59.3036 32.3570 178.8971 113 G 3.6091 8.4382 106.4777 47.9630 0.0000 175.4377 114 F 4.7187 7.6700 118.4417 60.1812 38.9858 176.7367 115 E 4.4177 8.1537 116.0310 56.7826 30.8900 176.6226 116 S 4.7775 8.0921 114.4749 56.1162 63.3133 172.2794 117 P 4.3646 0.0000 0.0000 62.5237 32.3899 176.1760 118 S 4.5165 8.9289 114.1632 57.8573 65.8543 172.6707 119 D 4.2617 8.4107 122.2348 55.0540 39.9928 177.1966 120 N 4.3795 8.6737 117.0015 53.4239 37.2331 176.2588 121 S 4.1761 8.3055 115.5825 62.0650 62.1756 176.8860 122 S 4.3097 8.1263 117.6779 61.0989 62.5023 176.2479 123 A 4.1316 7.9133 123.2140 54.7081 18.3710 179.4245 124 V 3.9610 7.7584 117.0422 64.3640 32.0820 178.3533 125 L 4.2837 7.8738 119.1890 57.5661 40.9533 178.8867 126 L 4.4322 8.1252 117.0657 56.4004 41.5521 178.7145 127 Q 4.1879 8.5156 119.1161 57.8696 29.2280 177.9302 128 W 3.9327 7.9781 119.5554 59.7232 29.0497 177.9005 129 H 4.0847 8.6324 118.4807 59.2344 29.1599 176.6929 130 E 3.9795 7.6781 119.0077 59.4494 29.2631 178.8293 131 K 4.0719 8.1836 117.9405 59.4598 32.2018 179.1883 132 A 4.0494 8.7112 121.5025 55.1926 18.2520 179.4731 133 L 3.9615 8.2888 118.8283 58.2215 41.9766 179.0778 134 A 4.2426 7.6839 118.9023 54.3024 18.2700 178.9314 135 A 4.3788 7.7741 118.2359 54.6041 19.7458 179.1989 136 G 3.7748 8.5479 102.1824 44.1286 0.0000 174.8553 137 G 4.0625 8.2986 110.4496 44.7643 0.0000 174.9149 138 V 3.8048 8.2354 118.0819 64.5255 30.9841 178.3887 139 G 3.7837 8.2471 106.4674 47.9928 0.0000 175.4849 140 S 4.4108 7.6558 116.2903 60.6999 63.2372 176.3962 141 I 3.8088 7.7277 122.9113 64.0421 36.9638 178.0561 142 V 3.5536 7.7478 119.0925 66.3343 31.1109 178.0291 143 R 4.6200 7.6531 116.2414 57.4296 30.0786 178.6170 144 V 3.7298 7.9565 119.5140 65.6101 31.4972 177.9394 145 L 3.9319 7.7093 116.9622 57.2538 41.8274 177.9076 146 T 4.1617 7.9387 107.4856 61.9260 69.5482 174.5682 147 A 4.2735 7.3152 126.1712 52.4135 18.7451 177.4977 148 R 4.1310 8.6347 122.0785 57.2867 30.9516 176.5275 149 K 4.3287 7.8479 117.1330 54.9592 32.1353 174.8796 150 T 4.5956 7.8770 117.1014 59.3870 70.6945 174.1785 151 V 3.7325 7.9932 115.6888 61.6029 31.4780 176.5003 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 9 A 8.26 4.39 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 10 R 7.72 4.21 0.00 1.93 1.85 0.00 3.36 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 11 F 8.64 5.76 0.00 3.09 3.23 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 12 R 7.19 4.35 0.00 1.54 1.89 0.00 2.69 0.00 0.00 3.01 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.00 13 K 7.86 4.09 0.00 1.76 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.37 7.81 14 V 7.61 4.10 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 0.82 0.00 0.00 1.02 0.00 0.00 15 D 8.52 4.66 0.00 2.84 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 16 V 8.19 3.85 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 1.07 0.00 0.00 1.06 0.00 0.00 17 G 8.31 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 0.00 0.00 0.00 18 E 8.22 4.06 0.00 1.85 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 2.33 2.29 0.00 19 Y 7.78 4.69 0.00 2.90 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 20 D 8.26 4.61 0.00 2.74 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 21 E 8.48 4.17 0.00 1.99 1.88 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 2.28 2.28 0.00 22 N 7.60 4.50 0.00 2.98 2.79 0.00 0.00 7.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.87 4.36 0.00 1.94 1.76 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.41 7.81 24 F 8.47 5.05 0.00 2.90 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 25 V 6.45 4.17 1.83 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 0.67 0.00 0.00 0.81 0.00 0.00 26 D 7.82 4.52 0.00 2.52 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 0.00 0.00 0.00 *36 G 8.50 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 0.00 0.00 0.00 37 P 0.00 4.70 0.00 1.91 2.19 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.23 0.00 38 D 8.45 4.60 0.00 2.66 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 E 8.95 4.01 0.00 2.02 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 2.36 2.32 0.00 40 G 8.09 3.58 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 0.00 0.00 0.00 41 E 8.21 4.03 0.00 1.99 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 2.30 2.32 0.00 42 V 7.78 3.58 2.20 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 0.95 0.00 0.00 1.00 0.00 0.00 43 D 8.03 4.34 0.00 2.98 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.47 4.07 0.00 3.92 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 45 C 7.84 4.24 0.00 3.02 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 46 L 8.05 4.01 0.00 1.92 1.70 0.92 0.75 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 47 R 8.10 3.96 0.00 1.76 1.98 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 48 Q 7.65 4.25 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.69 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 49 G 7.60 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 0.00 0.00 0.00 50 N 7.72 4.62 0.00 2.88 2.79 0.00 0.00 6.98 7.32 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 51 M 8.00 4.01 0.00 0.83 1.62 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 2.02 2.44 0.00 52 T 8.14 4.15 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 1.30 0.00 0.00 53 A 8.03 4.00 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 54 A 7.81 3.95 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.06 3.88 0.00 2.00 2.00 0.67 0.86 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 56 Q 7.81 4.09 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 57 A 7.74 4.26 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.99 3.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.36 4.43 0.00 1.69 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.49 4.41 0.00 1.69 1.82 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 61 N 8.73 4.15 0.00 2.88 2.78 0.00 0.00 6.81 8.03 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 62 P 0.00 4.58 0.00 2.20 2.19 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 63 P 0.00 4.65 0.00 2.23 2.11 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 64 I 7.78 3.86 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.42 0.90 0.00 0.00 65 N 7.99 4.95 0.00 2.66 2.79 0.00 0.00 6.95 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 66 T 7.37 4.35 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 67 K 8.49 4.18 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 68 S 7.81 4.31 0.00 4.00 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 69 Q 8.67 4.33 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 70 A 7.60 4.00 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 71 V 7.61 3.61 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 0.82 0.00 0.00 0.94 0.00 0.00 72 K 7.94 3.99 0.00 1.97 1.92 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.55 1.67 7.81 73 D 8.22 4.40 0.00 2.87 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 74 R 7.71 3.79 0.00 1.93 2.10 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 75 A 7.99 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.50 3.65 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 0.00 0.00 0.00 77 S 7.89 4.09 0.00 4.04 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 78 I 7.39 3.60 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.83 0.00 0.00 79 V 7.39 3.41 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.13 0.00 0.00 80 L 8.16 3.77 0.00 1.74 1.78 0.81 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.31 4.05 0.00 1.96 1.88 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 82 V 7.20 3.71 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 1.06 0.00 0.00 0.92 0.00 0.00 83 L 7.48 3.97 0.00 1.30 0.78 0.33 -1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.71 4.06 1.90 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 1.54 0.47 0.96 0.00 0.00 85 S 7.52 4.28 0.00 4.13 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 86 F 7.70 4.71 0.00 3.63 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 87 K 8.40 4.35 0.00 2.01 1.72 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 88 A 8.34 3.78 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 89 N 8.03 4.61 0.00 2.71 2.86 0.00 0.00 6.77 8.06 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 90 D 8.62 4.89 0.00 2.96 2.80 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 91 I 7.34 2.97 1.33 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.51 -0.85 0.00 0.00 92 E 7.99 3.77 0.00 1.94 1.91 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 2.35 2.34 0.00 93 K 7.97 3.83 0.00 1.80 1.87 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 94 A 7.55 4.22 1.51 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 0.00 0.00 95 V 7.83 3.58 2.19 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 1.05 0.00 0.00 0.95 0.00 0.00 96 Q 7.79 4.25 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 97 S 7.72 4.54 0.00 4.08 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 98 L 7.26 4.59 0.00 1.78 1.66 0.98 0.89 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 99 D 8.15 4.80 0.00 2.87 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 0.00 100 K 8.57 3.85 0.00 1.79 1.94 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.51 7.81 101 N 8.28 4.45 0.00 2.89 2.88 0.00 0.00 6.98 7.58 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 0.00 102 G 8.21 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.21 3.63 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.00 0.00 0.00 104 D 8.42 4.36 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.05 3.91 0.00 1.86 1.86 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.54 3.99 0.00 1.78 1.95 0.70 1.01 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 0.00 107 M 8.25 4.03 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.77 0.00 108 K 7.83 4.02 0.00 1.77 1.60 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.57 7.81 109 Y 7.65 4.14 0.00 3.15 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 0.00 110 I 7.96 3.42 1.93 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 1.31 1.18 0.46 0.00 0.00 111 Y 7.78 4.20 0.00 3.17 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 0.00 112 K 7.83 4.29 0.00 2.12 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.74 7.81 113 G 8.44 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.67 4.72 0.00 3.29 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 0.00 115 E 8.15 4.42 0.00 2.14 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 2.42 2.61 0.00 116 S 8.09 4.78 0.00 3.78 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 0.00 117 P 0.00 4.36 0.00 2.07 2.04 0.00 3.80 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 118 S 8.93 4.52 0.00 3.96 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 0.00 119 D 8.41 4.26 0.00 2.70 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 0.00 120 N 8.67 4.38 0.00 2.95 2.98 0.00 0.00 6.73 7.74 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 0.00 121 S 8.31 4.18 0.00 4.01 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 0.00 122 S 8.13 4.31 0.00 3.98 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 0.00 123 A 7.91 4.13 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 0.00 124 V 7.76 3.96 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 1.10 0.00 0.00 1.06 0.00 0.00 125 L 7.87 4.28 0.00 1.79 1.24 0.61 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.13 4.43 0.00 1.83 1.80 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.52 4.19 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 128 W 7.98 3.93 0.00 3.45 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 0.00 129 H 8.63 4.08 0.00 3.35 3.39 0.00 5.60 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 0.00 130 E 7.68 3.98 0.00 2.15 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 0.00 2.33 2.39 0.00 131 K 8.18 4.07 0.00 1.91 1.74 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.40 7.81 132 A 8.71 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.29 3.96 0.00 1.80 1.93 1.00 1.49 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 0.00 134 A 7.68 4.24 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 0.00 135 A 7.77 4.38 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 0.00 136 G 8.55 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 0.00 0.00 0.00 137 G 8.30 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 0.00 138 V 8.24 3.80 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 0.84 0.00 0.00 0.96 0.00 0.00 139 G 8.25 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 0.00 140 S 7.66 4.41 0.00 4.11 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 0.00 141 I 7.73 3.81 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.60 0.88 0.00 0.00 142 V 7.75 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 143 R 7.65 4.62 0.00 1.97 1.94 0.00 3.16 0.00 0.00 2.99 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 144 V 7.96 3.73 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.97 0.00 0.00 145 L 7.71 3.93 0.00 1.76 1.65 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.94 4.16 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 1.18 0.00 0.00 147 A 7.32 4.27 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 0.00 148 R 8.63 4.13 0.00 1.83 2.03 0.00 3.36 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 149 K 7.85 4.33 0.00 1.68 1.99 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.45 7.81 150 T 7.88 4.60 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 1.17 0.00 0.00 151 V 7.99 3.73 1.79 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 0.09 0.00 0.00 0.53 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.