NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2495 8.3293 121.7053 56.1413 30.1785 174.0345 3 T 4.6975 8.2926 114.6259 59.4924 71.9841 171.5888 4 I 4.4545 8.3784 123.6098 59.0071 40.8846 176.0754 5 N 4.6338 8.7068 124.9209 53.7432 39.5336 175.6079 6 A 4.0019 8.7720 127.7773 55.4286 18.4217 180.2772 7 T 3.7959 8.2619 114.5023 66.7928 68.3215 176.3095 8 E 4.0193 8.0928 119.3732 59.3436 30.0855 178.5198 9 I 3.8412 7.5406 119.2819 64.4554 37.0011 178.2742 10 R 3.9983 8.3314 118.4161 59.6525 30.0031 177.7742 11 N 4.7319 8.2380 113.7729 54.4809 39.3630 174.8075 12 N 5.2529 8.4428 118.6517 52.0318 40.2721 176.6717 13 F 4.5166 8.8049 121.4954 61.6399 39.8272 175.1816 14 S 4.0129 8.3872 112.3058 61.7430 62.0844 175.2742 15 Y 3.9634 8.0495 121.3257 61.1078 38.5288 177.7194 16 Y 3.8609 8.0852 117.4397 60.6992 37.8639 177.9211 17 I 3.5190 7.6425 121.0753 64.6481 37.1475 177.7842 18 D 4.2718 7.8998 119.4297 57.7399 40.6067 179.2447 19 T 3.6659 7.3306 110.0161 64.6926 68.4218 176.7513 20 V 4.1311 7.5344 121.5697 65.1578 31.6548 177.8476 21 V 3.6981 7.7579 117.1844 66.0314 31.4686 177.6637 22 R 4.2522 8.0177 116.1550 57.7115 30.3332 175.5542 23 D 4.7480 8.3803 115.1949 54.2533 43.8528 175.1162 24 K 4.6424 7.2644 115.7351 54.5681 35.5145 173.3572 25 P 4.7675 0.0000 0.0000 62.7054 32.0249 175.7141 26 I 4.5410 8.1520 114.9845 58.9922 41.1290 173.8544 27 A 4.8920 8.1772 124.8443 50.2171 21.5284 175.6421 28 V 4.4579 8.4827 122.4148 60.6727 34.6651 174.0192 29 K 4.7996 8.8738 129.4103 54.6756 34.6383 174.5669 30 R 4.3948 9.1607 128.8395 54.6546 31.7929 177.1251 31 N 4.1566 8.8621 127.7286 54.7102 37.1813 177.4835 32 R 4.2551 9.0023 127.7963 57.7889 31.0134 175.6267 33 D 4.7400 7.9712 119.3675 52.9531 42.0542 175.1726 34 V 4.8207 8.2473 122.9968 61.1122 33.5796 174.5457 35 L 5.0088 8.9013 127.2155 52.8738 45.5186 175.2419 36 L 5.0459 8.6184 120.4139 52.9903 44.9801 175.7625 37 F 5.1409 8.8907 122.4497 55.8426 41.3481 174.6914 38 F 5.3035 8.8303 121.5577 55.0758 42.7818 175.1450 39 S 4.2263 8.8384 116.2687 58.4473 63.7065 174.7339 40 E 3.8795 9.0614 123.6543 59.8659 29.2327 179.0598 41 Q 3.9824 8.1109 118.7454 59.2901 28.9561 178.2920 42 I 3.7248 7.6217 120.8923 64.3800 37.1578 178.4955 43 I 3.4970 7.5802 120.2348 63.9365 36.7418 178.3970 44 K 3.8394 7.7496 118.5700 59.6021 32.2203 178.7504 45 D 4.4298 8.2003 119.1573 57.3043 40.5214 178.4235 46 L 3.9019 7.8560 119.9134 57.7853 42.3388 178.1060 47 L 4.3034 7.4234 116.0963 54.2728 41.5225 177.8454 48 Q 3.8620 7.7016 121.9972 59.4143 28.9259 177.7790 49 D 4.4522 7.7968 114.7102 55.5393 41.3305 176.2464 50 L 4.0650 7.4012 121.9900 54.7700 42.3956 175.9859 51 K 5.1161 8.5619 124.3312 54.7452 36.2347 175.3415 52 I 4.6456 9.1398 124.0329 60.0528 39.6495 174.2484 53 H 5.4930 8.9358 123.6491 54.1339 30.7396 174.0592 54 A 4.9953 9.0251 123.7379 50.1632 22.4972 174.5240 55 E 5.0731 8.9403 120.5350 54.5196 32.2806 175.0609 56 L 5.2148 8.7047 124.2089 52.8881 44.5640 175.8222 57 S 4.7073 9.0922 118.2966 56.2763 65.1752 172.2439 58 K 4.9005 8.6345 128.1648 54.7514 33.9128 175.5181 59 E 4.2555 9.0103 128.7076 56.2957 31.0600 174.0936 60 D 4.2811 9.0375 128.9859 55.2378 37.1396 176.2585 61 G 3.9668 8.1473 107.5873 45.1601 0.0000 172.4287 62 I 4.6004 7.2366 120.9098 59.7387 39.4746 174.6461 63 I 4.9236 8.8714 127.9598 59.7214 39.5613 174.5136 64 I 4.7727 8.7816 128.0916 59.5516 39.4708 174.8092 65 G 4.5510 9.0496 114.3532 44.5202 0.0000 172.0785 66 T 5.1491 9.0061 113.7931 59.9132 72.7353 173.0397 67 I 4.8128 8.3833 124.2708 59.1580 38.0442 175.7621 68 D 4.3060 8.5927 127.4124 56.9188 41.2310 179.1788 69 G 3.3429 7.8522 107.0278 47.9010 0.0000 173.8582 70 F 4.7947 7.7637 116.0946 56.2215 39.5355 174.8692 71 D 4.3525 7.8014 118.5309 55.1916 40.1958 173.0661 72 L 4.8212 7.1945 114.8657 53.0818 43.7671 176.7129 73 V 5.0626 8.1183 122.0293 60.6276 34.3730 174.1556 74 V 4.6573 8.9702 116.6565 59.8264 36.6657 173.8993 75 S 5.0715 8.4847 115.4220 57.0256 65.5362 172.7502 76 G 4.1887 8.9285 111.5594 46.0594 0.0000 173.1968 77 E 4.7614 10.1264 118.0684 55.6898 30.3347 177.0059 78 S 4.6720 7.3641 113.3658 55.7202 67.2900 174.2843 79 E 3.9375 8.7287 123.0332 59.6487 29.3788 179.1780 80 Q 3.9595 7.9474 117.7215 58.5741 28.9187 177.8796 81 E 3.8927 8.2068 120.4907 59.2456 29.6542 179.0530 82 V 3.5853 7.8290 118.2122 66.1638 31.5432 178.1058 83 I 3.6769 7.9590 119.6887 64.1488 36.8716 178.1233 84 Q 3.9030 8.0720 120.4881 59.3033 28.8701 178.7309 85 K 4.1804 8.0966 119.3732 59.4262 31.9957 179.4199 86 L 3.9872 8.2206 119.2870 57.6207 41.5096 179.3876 87 A 3.9614 8.2120 120.9331 55.1982 18.3293 179.5842 88 E 3.9333 8.2041 117.1222 59.7111 29.4646 179.3856 89 D 4.4382 8.3786 119.0313 57.0353 40.7679 178.8335 90 L 4.0004 8.3512 120.1490 57.7924 41.6800 179.2583 91 L 3.9382 7.9432 120.2430 57.9474 41.9980 178.5485 92 E 3.9145 8.3047 119.2838 59.4914 29.5583 178.1251 93 Y 4.2653 8.2853 119.4434 60.7664 38.5947 177.9035 94 A 3.5720 8.0164 120.8397 55.1606 18.5055 179.3501 95 Q 4.0493 7.9113 115.5075 59.0956 28.9433 178.3817 96 D 4.5079 8.0552 119.8916 57.3733 40.7058 178.6004 97 Y 2.3900 7.3401 116.3400 58.3641 38.3307 177.2961 *99 N 4.6824 8.0717 116.6634 52.4821 41.2957 173.9512 100 D 5.0082 7.7479 117.0783 52.0028 41.7757 175.9171 101 F 4.2050 8.5319 126.6157 60.7685 39.8447 175.2960 102 K 3.8181 8.4537 118.4773 59.7562 31.5911 178.0073 103 L 3.9344 7.9081 118.0084 58.1425 42.5202 178.5175 104 F 3.8063 8.0347 117.5974 60.5819 38.5511 177.0949 105 Y 4.1538 7.5404 119.2963 59.6066 38.4998 176.9484 106 N 4.6117 7.2801 112.6337 52.0524 39.7365 175.1155 107 A 4.1377 7.1115 124.9294 50.7578 19.2613 175.8118 108 P 4.3463 0.0000 0.0000 64.2408 31.8201 176.4913 109 N 4.4159 8.9436 117.7671 54.3654 35.7574 175.4505 110 R 4.3911 7.6072 115.6730 55.5725 31.3543 177.6238 111 K 3.5557 7.7855 120.8345 59.4775 32.1238 178.4137 112 T 4.1736 7.8781 107.8356 64.4525 69.0700 175.5834 113 H 4.9272 8.2624 119.3613 58.6472 28.6443 176.8336 114 Y 4.0351 8.3233 122.1434 60.2238 38.6998 176.1604 115 P 3.8841 0.0000 0.0000 65.4313 31.3260 178.2061 116 Y 4.0353 7.6994 115.0840 61.0720 37.8327 178.1196 117 I 3.3628 7.4251 120.7161 64.3528 37.1459 178.2111 118 L 3.6508 7.4889 120.9890 57.7931 41.9878 178.7307 119 K 3.6778 7.7343 119.5267 59.4886 31.8800 178.6258 120 V 4.1246 7.7400 118.7123 65.6793 31.4933 177.8002 121 L 4.1080 7.9115 117.3128 57.4795 41.4807 179.0104 122 L 4.1389 7.6280 117.8465 55.8292 42.0777 177.7725 123 S 4.4017 7.2699 114.5728 59.1208 63.2774 174.8944 124 S 4.3213 9.0916 120.1214 60.7441 63.0638 174.1978 125 N 4.5219 7.4084 116.3016 51.1900 40.4197 175.2649 126 I 3.7308 7.9765 121.0192 64.2466 36.8634 178.1286 127 D 4.3386 8.1556 118.8646 57.6223 41.0300 178.4514 128 E 4.1047 8.6662 118.8682 59.3298 29.5641 179.3896 129 V 2.9677 7.4402 118.1484 65.9410 31.6411 178.1706 130 K 3.8779 8.1097 118.1921 59.2877 31.6293 179.1811 131 G 3.7756 7.5875 104.1727 46.3118 0.0000 173.4741 132 Y 5.0529 7.1097 118.8488 56.7734 39.6059 174.8250 133 I 4.7940 7.3139 120.9708 60.8755 38.5085 174.9059 134 Y 4.4264 9.3813 126.0833 56.2033 39.6135 174.7734 135 A 5.0101 8.5622 126.8319 50.8658 20.2352 176.4577 136 E 4.6553 8.8731 120.8596 55.4626 33.4876 176.5469 *138 V 3.8407 8.4086 117.9594 63.3764 31.7541 175.6865 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 Q 8.33 4.25 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 3 T 8.29 4.70 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 1.15 0.00 0.00 4 I 8.38 4.45 1.54 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.64 0.59 0.00 0.00 5 N 8.71 4.63 0.00 2.73 2.66 0.00 0.00 7.09 8.75 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 6 A 8.77 4.00 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 7 T 8.26 3.80 4.31 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 1.22 0.00 0.00 8 E 8.09 4.02 0.00 1.97 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 2.37 2.55 0.00 9 I 7.54 3.84 2.02 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 1.19 0.00 0.00 10 R 8.33 4.00 0.00 1.85 2.14 0.00 3.25 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 11 N 8.24 4.73 0.00 2.83 2.91 0.00 0.00 6.83 7.30 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 12 N 8.44 5.25 0.00 3.23 2.80 0.00 0.00 6.48 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 13 F 8.80 4.52 0.00 3.29 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 14 S 8.39 4.01 0.00 4.01 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 15 Y 8.05 3.96 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.09 3.86 0.00 3.11 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 17 I 7.64 3.52 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.06 0.76 0.00 0.00 18 D 7.90 4.27 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.33 3.67 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 0.47 0.00 0.00 20 V 7.53 4.13 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 1.22 0.00 0.00 1.05 0.00 0.00 21 V 7.76 3.70 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 22 R 8.02 4.25 0.00 1.82 1.92 0.00 3.09 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 23 D 8.38 4.75 0.00 2.50 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 24 K 7.26 4.64 0.00 1.92 1.83 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.43 7.81 25 P 0.00 4.77 0.00 1.75 1.46 0.00 3.62 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 2.17 2.23 0.00 26 I 8.15 4.54 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.86 0.93 0.00 0.00 27 A 8.18 4.89 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 28 V 8.48 4.46 1.60 0.00 0.00 0.00 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 -0.06 0.00 0.00 29 K 8.87 4.80 0.00 1.81 1.56 0.00 1.47 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.44 7.81 30 R 9.16 4.39 0.00 1.83 1.77 0.00 3.28 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 31 N 8.86 4.16 0.00 2.91 2.04 0.00 0.00 7.16 7.66 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 32 R 9.00 4.26 0.00 1.79 1.97 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 33 D 7.97 4.74 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.82 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 0.76 0.00 0.00 0.91 0.00 0.00 35 L 8.90 5.01 0.00 1.67 1.66 0.95 0.69 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 36 L 8.62 5.05 0.00 1.68 1.26 1.08 0.71 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 37 F 8.89 5.14 0.00 2.73 2.77 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 38 F 8.83 5.30 0.00 2.82 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 39 S 8.84 4.23 0.00 4.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.06 3.88 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 41 Q 8.11 3.98 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 42 I 7.62 3.72 2.13 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 1.56 0.58 1.02 0.00 0.00 43 I 7.58 3.50 1.85 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.72 0.00 0.00 44 K 7.75 3.84 0.00 1.85 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.59 7.81 45 D 8.20 4.43 0.00 2.79 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 46 L 7.86 3.90 0.00 1.60 1.74 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.42 4.30 0.00 1.65 1.42 0.70 0.64 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 48 Q 7.70 3.86 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 49 D 7.80 4.45 0.00 2.65 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 50 L 7.40 4.07 0.00 1.40 1.45 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.56 5.12 0.00 1.52 1.65 0.00 1.91 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.09 7.81 52 I 9.14 4.65 2.08 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.08 1.04 0.00 0.00 53 H 8.94 5.49 0.00 3.02 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 9.03 5.00 1.21 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 55 E 8.94 5.07 0.00 1.92 1.84 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 2.22 2.35 0.00 56 L 8.70 5.21 0.00 1.47 1.54 0.92 0.64 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 57 S 9.09 4.71 0.00 3.84 3.67 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 58 K 8.63 4.90 0.00 1.78 1.66 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 59 E 9.01 4.26 0.00 1.92 1.80 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 2.22 2.28 0.00 60 D 9.04 4.28 0.00 3.00 2.77 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 61 G 8.15 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 62 I 7.24 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.09 0.91 0.00 0.00 63 I 8.87 4.92 1.87 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 1.22 0.66 0.91 0.00 0.00 64 I 8.78 4.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 0.96 0.00 0.00 65 G 9.05 4.55 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 66 T 9.01 5.15 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 1.20 0.00 0.00 67 I 8.38 4.81 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.80 0.00 0.00 68 D 8.59 4.31 0.00 2.61 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 69 G 7.85 3.34 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 0.00 70 F 7.76 4.79 0.00 2.95 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 71 D 7.80 4.35 0.00 2.75 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 72 L 7.19 4.82 0.00 1.65 1.58 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.12 5.06 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 0.68 0.00 0.00 0.93 0.00 0.00 74 V 8.97 4.66 2.08 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 0.69 0.00 0.00 1.02 0.00 0.00 75 S 8.48 5.07 0.00 3.82 3.67 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 76 G 8.93 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 0.00 0.00 0.00 77 E 10.13 4.76 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 78 S 7.36 4.67 0.00 4.14 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 79 E 8.73 3.94 0.00 2.04 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 2.35 2.39 0.00 80 Q 7.95 3.96 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 81 E 8.21 3.89 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 82 V 7.83 3.59 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 1.04 0.00 0.00 0.96 0.00 0.00 83 I 7.96 3.68 1.82 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 1.36 0.52 0.83 0.00 0.00 84 Q 8.07 3.90 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 85 K 8.10 4.18 0.00 1.98 1.84 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.61 7.81 86 L 8.22 3.99 0.00 1.82 1.73 0.92 0.88 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 87 A 8.21 3.96 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 88 E 8.20 3.93 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 89 D 8.38 4.44 0.00 2.99 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 90 L 8.35 4.00 0.00 1.92 1.72 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.94 3.94 0.00 1.76 1.82 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.30 3.91 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 93 Y 8.29 4.27 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 94 A 8.02 3.57 1.21 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 95 Q 7.91 4.05 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 96 D 8.06 4.51 0.00 2.82 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 97 Y 7.34 2.39 0.00 2.11 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 N 8.07 4.68 0.00 2.93 2.96 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 0.00 100 D 7.75 5.01 0.00 2.81 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 0.00 101 F 8.53 4.21 0.00 3.26 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 0.00 102 K 8.45 3.82 0.00 1.96 1.87 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.60 7.81 103 L 7.91 3.93 0.00 1.57 1.82 0.77 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.03 3.81 0.00 2.29 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.54 4.15 0.00 1.43 2.35 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 0.00 106 N 7.28 4.61 0.00 2.89 2.80 0.00 0.00 7.03 7.23 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 0.00 107 A 7.11 4.14 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 0.00 108 P 0.00 4.35 0.00 2.02 1.98 0.00 3.71 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 1.99 2.08 0.00 109 N 8.94 4.42 0.00 2.90 2.99 0.00 0.00 6.82 7.66 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 0.00 110 R 7.61 4.39 0.00 2.09 2.14 0.00 3.33 0.00 0.00 3.60 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 111 K 7.79 3.56 0.00 1.55 1.65 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.51 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 0.31 7.81 112 T 7.88 4.17 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 1.28 0.00 0.00 113 H 8.26 4.93 0.00 3.72 3.62 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 8.32 4.04 0.00 3.55 3.43 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 0.00 115 P 0.00 3.88 0.00 1.77 1.87 0.00 3.95 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 116 Y 7.70 4.04 0.00 3.23 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 0.00 117 I 7.43 3.36 1.52 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.51 0.00 0.00 118 L 7.49 3.65 0.00 0.80 1.33 0.83 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.73 3.68 0.00 1.70 1.76 0.00 1.47 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.93 1.11 7.81 120 V 7.74 4.12 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 1.27 0.00 0.00 1.08 0.00 0.00 121 L 7.91 4.11 0.00 1.71 1.68 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.63 4.14 0.00 1.69 1.68 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 S 7.27 4.40 0.00 4.13 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 0.00 124 S 9.09 4.32 0.00 4.17 3.92 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 0.00 125 N 7.41 4.52 0.00 2.91 2.87 0.00 0.00 6.30 7.68 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 0.00 126 I 7.98 3.73 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 0.86 0.00 0.00 127 D 8.16 4.34 0.00 2.82 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 0.00 128 E 8.67 4.10 0.00 2.18 2.08 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 2.35 2.51 0.00 129 V 7.44 2.97 2.08 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 0.82 0.00 0.00 1.00 0.00 0.00 130 K 8.11 3.88 0.00 1.90 1.73 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.54 7.81 131 G 7.59 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 0.00 132 Y 7.11 5.05 0.00 3.26 3.24 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 0.00 133 I 7.31 4.79 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.89 0.00 0.00 134 Y 9.38 4.43 0.00 2.82 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 0.00 135 A 8.56 5.01 1.21 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 0.00 136 E 8.87 4.66 0.00 1.99 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 2.19 2.37 0.00 *138 V 8.41 3.84 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.