NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2631 8.1593 117.3742 63.4664 69.1700 174.1114 2 S 4.3684 8.3570 122.6782 56.0299 66.3394 172.9495 3 K 4.0531 9.1686 122.4749 59.6642 32.2754 179.5889 4 K 3.8524 8.0974 118.2960 59.6385 31.7748 178.6592 5 K 3.8137 7.5358 118.2436 59.6571 30.9290 178.0384 6 R 4.2723 7.8254 115.7209 56.9628 30.2770 178.3349 7 Q 4.3370 8.2344 119.4393 57.5557 28.6599 175.6218 8 R 4.2935 7.0985 116.1431 59.5957 28.8483 174.6035 9 G 3.5353 8.8888 118.4804 45.5640 0.0000 174.0974 10 S 3.9446 7.6180 115.7747 59.5771 62.9639 174.9920 11 R 4.3001 7.5964 124.6329 56.6379 29.8887 176.7460 12 T 4.4070 7.6395 104.4469 60.8495 69.4581 174.0084 13 H 4.0223 8.9191 117.8328 57.2029 26.6675 175.7976 14 G 3.9267 8.3178 105.1573 45.8807 0.0000 175.4426 15 G 3.9121 8.6387 107.7736 45.6485 0.0000 176.0170 16 G 3.9127 7.4889 105.9626 45.0465 0.0000 174.2310 17 S 4.2153 8.5682 117.3398 58.4641 62.8378 175.1956 18 H 4.2533 8.8532 122.0587 58.3122 28.3531 176.3398 19 K 4.0014 7.6237 117.8477 57.2824 31.1758 177.5437 20 N 4.3924 7.3151 117.5035 55.1391 39.4429 176.1084 21 R 4.5176 7.6653 120.7864 57.0670 29.2789 177.2065 22 R 4.5897 7.2958 123.8986 56.1739 30.5391 178.4150 23 G 3.9263 8.4094 113.7192 44.9751 0.0000 172.5613 24 A 4.3418 8.5826 120.9487 53.8365 18.2504 179.8992 25 G 3.5873 7.9375 104.8813 47.8105 0.0000 175.4366 26 H 4.2432 8.0219 119.6094 59.0381 29.9513 177.0574 27 R 4.1945 7.8627 117.7505 56.7663 30.2422 177.4485 28 G 3.8651 7.1749 106.8014 44.7936 0.0000 172.3661 29 G 4.2614 7.5861 104.5004 42.9189 0.0000 174.2896 30 R 4.1361 8.3858 120.6974 56.3751 31.7644 178.6003 31 G 3.6975 8.6489 110.4979 46.5803 0.0000 175.2625 32 D 4.6233 8.8328 122.9760 54.9960 40.0969 176.1798 33 A 3.9992 8.1178 123.7803 53.2728 18.9997 178.2207 34 G 3.9374 8.9072 105.6672 46.2740 0.0000 175.3074 35 R 3.9607 7.4710 110.8657 56.8118 28.8575 177.3855 36 D 4.9075 8.1325 115.2694 53.1004 43.8100 176.1520 37 K 4.1762 8.4129 118.2819 57.4542 30.5099 177.4264 38 H 4.5330 9.6907 121.9763 58.7218 29.7927 176.5844 39 E 4.5945 7.6188 118.7410 55.6068 29.7973 177.7528 40 F 4.3568 8.2504 116.0656 59.0971 37.8432 174.2888 41 H 3.5167 6.3243 117.0852 56.9349 28.5984 173.8949 42 N 4.0761 9.0212 123.4574 53.4587 34.5931 173.6291 43 H 4.4268 7.9300 113.7835 54.1599 31.6345 172.7572 44 E 3.8264 9.3157 126.7261 56.3892 29.1435 174.3274 45 P 4.0477 0.0000 0.0000 59.8573 33.4380 175.6620 46 L 4.0266 8.6150 121.3904 54.3888 41.7401 177.1322 47 G 4.2738 7.8324 115.8488 45.3120 0.0000 170.9818 48 K 4.5693 8.0811 119.5029 54.4882 33.8339 176.3636 49 S 4.4553 8.0946 116.9928 57.4269 65.4309 175.1392 50 G 4.0052 8.9493 117.0786 44.8039 0.0000 171.7350 51 F 5.1048 8.2405 112.2247 55.0868 41.1575 173.6095 52 K 4.4706 8.5436 119.1299 54.5715 35.2746 176.2901 53 R 4.5840 8.2929 121.4417 53.7885 31.7341 174.4278 54 P 4.2315 0.0000 0.0000 63.8015 31.4996 177.0491 55 Q 3.8619 8.9220 123.3491 58.9690 28.8129 179.4307 56 K 4.3292 8.0250 112.8610 57.5946 32.5432 177.0953 57 V 4.3154 8.2610 117.8365 62.7809 32.1575 174.7450 58 Q 4.5625 7.9551 117.8099 54.8684 29.9918 174.7404 59 E 4.7564 8.5736 121.2259 54.0413 31.2336 174.8763 60 E 4.5532 8.7954 124.0297 54.4046 31.8699 174.0712 61 A 4.1639 8.3463 128.9609 50.4303 20.6213 176.2836 62 A 4.3048 8.5446 125.4204 51.2175 19.4214 176.5590 63 T 4.9848 8.1873 111.8979 61.4775 71.2435 174.3701 64 I 4.5433 8.3276 122.6700 59.9953 42.0923 173.6706 65 D 5.1071 8.7553 129.0818 53.7022 41.9154 177.8063 66 V 3.7271 8.6706 117.2006 64.5761 31.3574 179.1342 67 R 3.8939 7.6493 117.2559 59.3941 29.7247 178.1246 68 E 3.9215 8.0103 118.0102 59.4599 29.9139 178.5290 69 I 3.8234 7.6876 119.6341 64.2202 37.1338 177.4105 70 D 4.4420 8.2356 118.8383 57.7065 41.1116 178.3524 71 E 4.1610 8.3555 118.3928 58.6923 29.8472 178.5312 72 N 4.9253 7.6795 114.7571 53.0825 40.1660 177.3462 73 V 3.5474 7.5685 115.7711 64.5257 32.2837 179.2747 74 T 3.7806 7.6808 108.3363 64.4695 68.6782 175.2386 75 L 4.1102 7.7247 119.6730 55.8907 42.5746 177.0152 76 L 4.5112 7.1003 119.5622 53.5348 40.4026 176.5956 77 A 4.1183 7.4385 120.8684 53.3001 19.6085 178.9124 78 A 4.3204 7.8371 117.0250 52.6071 18.4303 176.1185 79 D 4.9863 7.2717 115.1541 51.6913 44.1401 175.0989 80 D 4.3652 8.5934 118.7460 55.4486 41.4909 176.0856 81 V 4.8415 8.2610 126.4043 61.3390 31.1055 174.6903 82 A 4.5699 7.6519 125.8586 50.5484 21.2789 176.7998 83 E 3.7541 8.7517 111.8101 59.4328 29.6622 177.5346 *89 F 4.7420 7.8295 116.8966 57.1880 40.8303 173.8685 90 R 5.1540 8.4737 122.6749 54.5128 32.1759 175.4238 91 V 4.3987 8.7201 125.4936 60.1070 34.9139 174.4767 92 D 4.6140 8.8366 125.3014 52.6158 40.4158 176.0943 93 V 3.5798 8.5583 127.9179 66.0114 31.6274 178.5905 94 R 4.2068 8.0597 117.0247 58.6657 29.9671 176.8268 95 D 4.8578 8.1880 116.0571 53.8936 41.1974 176.3925 96 V 4.1427 8.0817 119.2170 64.2766 33.2161 176.6529 97 V 3.6723 7.5859 118.0992 62.7995 31.7427 175.3415 98 E 4.1873 8.5567 125.9505 57.0582 30.2060 176.7188 99 E 4.0512 8.8653 117.7139 57.2830 26.8783 176.4767 100 A 3.9291 7.3866 122.6061 54.5276 18.6840 179.8301 101 D 4.4573 7.5332 115.9980 57.3896 41.0433 177.4061 102 D 4.5847 8.0274 114.3629 53.5020 38.5550 175.5509 103 A 4.7373 7.4589 123.1191 50.7249 20.5606 177.8533 104 D 4.7364 8.8475 121.2815 57.1851 42.4502 175.6438 105 Y 4.6135 6.8724 112.1991 56.6108 41.9632 172.6778 106 V 4.5642 9.0227 121.1897 61.3373 33.6165 174.3695 107 K 4.9356 9.1647 129.3522 54.5693 35.4042 174.6812 108 V 4.6237 8.7737 128.4760 61.5530 32.7567 174.5247 109 L 4.5221 9.1868 129.4832 53.8769 43.3398 177.1259 110 G 4.1550 8.4734 111.6190 44.8063 0.0000 171.5625 111 A 4.6986 8.0950 124.2843 51.3789 22.7975 175.7799 112 G 3.7592 9.1122 107.7402 44.5591 0.0000 172.8702 113 Q 4.4382 8.1748 117.3064 55.1170 30.3284 176.6821 114 V 4.5085 7.7511 118.8879 61.2982 31.2491 176.1076 115 R 4.1988 8.1992 116.0704 56.6224 29.9215 175.7726 116 H 5.2030 7.9549 114.3209 53.9364 33.3176 172.5225 117 E 4.5019 8.7908 118.2917 55.6357 30.5518 175.5822 118 L 5.1333 8.5593 123.0911 53.0089 46.5871 175.5807 119 T 5.1173 8.5473 116.5433 60.7100 68.5473 172.9477 120 L 4.7040 7.8952 123.9309 54.7804 43.9159 176.7371 121 I 5.8727 9.0866 122.6299 59.0091 40.7505 174.1804 122 A 4.7726 8.8043 127.6148 50.4234 22.5899 176.0851 123 D 4.4714 8.6820 117.9861 57.3149 41.5604 176.8482 124 D 4.6532 7.5849 115.9129 53.2331 45.0646 174.4166 125 F 5.5098 8.8395 122.5932 55.7329 43.2064 174.6787 126 S 4.5814 8.6236 116.1916 57.3981 64.7943 174.7634 127 E 4.0597 9.0289 120.7450 59.6326 29.2159 179.1953 128 G 3.6375 8.1257 104.9673 47.4600 0.0000 175.4517 129 A 4.0983 7.8992 121.9385 55.2612 18.7843 179.4565 130 R 3.9062 8.0717 116.5145 59.1110 30.2116 178.6740 131 E 3.9173 8.1957 118.1326 59.8954 29.5091 180.0472 132 K 4.2995 7.9077 115.6762 58.2403 32.3111 178.7924 133 V 4.0423 8.0362 119.0060 65.1938 32.2830 177.7103 134 E 4.8270 7.5085 119.1095 58.4518 29.1031 178.3982 135 G 4.0027 8.3405 103.5804 44.8167 0.0000 173.6113 136 A 4.5663 7.4485 121.5026 51.1844 20.1538 176.5208 137 G 3.6287 8.3676 103.2262 46.7459 0.0000 172.3680 138 G 4.3794 7.3640 104.8000 44.7979 0.0000 171.6785 139 S 5.0190 9.2171 113.2196 56.3650 66.7762 173.2940 140 V 4.2240 8.2354 121.0510 61.1276 33.4615 174.3725 141 E 4.5720 9.5145 129.2527 54.3927 31.7294 174.9839 142 L 5.0882 8.5227 127.6656 54.6879 43.2633 176.6395 143 T 4.2245 8.5266 122.6365 63.4785 69.6752 175.1778 144 D 4.4172 8.7653 121.4757 57.2357 41.1893 179.0057 145 L 3.9631 8.0544 121.0988 57.8740 42.2189 178.3656 146 G 3.8665 7.7732 104.7643 46.6765 0.0000 173.9518 147 E 4.1371 7.8645 119.1898 57.9099 30.0315 176.8754 148 E 4.3863 7.4868 120.5046 56.0059 29.2944 178.1823 149 R 4.5361 7.0251 116.9595 52.8438 30.5503 174.0984 150 Q 4.2488 7.7831 122.1940 56.6050 29.0435 173.1628 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 T 8.16 4.26 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 1.21 0.00 0.00 2 S 8.36 4.37 0.00 4.10 3.90 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 3 K 9.17 4.05 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.53 7.81 4 K 8.10 3.85 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 K 7.54 3.81 0.00 1.67 2.06 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 6 R 7.83 4.27 0.00 2.03 1.92 0.00 3.17 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 7 Q 8.23 4.34 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.98 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 8 R 7.10 4.29 0.00 1.76 1.92 0.00 3.33 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 9 G 8.89 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.62 3.94 0.00 3.95 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 11 R 7.60 4.30 0.00 1.90 2.15 0.00 3.23 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 12 T 7.64 4.41 4.33 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 1.29 0.00 0.00 13 H 8.92 4.02 0.00 3.25 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.32 3.93 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 0.00 0.00 0.00 15 G 8.64 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 0.00 0.00 0.00 16 G 7.49 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 0.00 0.00 0.00 17 S 8.57 4.22 0.00 3.87 4.05 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 18 H 8.85 4.25 0.00 3.32 3.41 0.00 5.58 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.62 4.00 0.00 1.70 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 20 N 7.32 4.39 0.00 2.90 2.64 0.00 0.00 6.93 7.24 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 21 R 7.67 4.52 0.00 1.81 1.94 0.00 3.19 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 22 R 7.30 4.59 0.00 1.77 1.44 0.00 3.25 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 23 G 8.41 3.93 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 0.00 0.00 0.00 24 A 8.58 4.34 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 25 G 7.94 3.59 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 26 H 8.02 4.24 0.00 3.17 3.42 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.86 4.19 0.00 1.94 1.95 0.00 3.25 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 28 G 7.17 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 29 G 7.59 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.39 4.14 0.00 1.82 1.88 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 G 8.65 3.70 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 0.00 0.00 0.00 32 D 8.83 4.62 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.12 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 34 G 8.91 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 35 R 7.47 3.96 0.00 1.57 1.99 0.00 2.76 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 36 D 8.13 4.91 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.41 4.18 0.00 1.84 1.61 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.41 7.81 38 H 9.69 4.53 0.00 3.32 3.48 0.00 5.50 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.62 4.59 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 40 F 8.25 4.36 0.00 3.08 3.37 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 41 H 6.32 3.52 0.00 2.99 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.02 4.08 0.00 2.79 2.84 0.00 0.00 6.96 8.16 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 43 H 7.93 4.43 0.00 3.24 3.21 0.00 5.94 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.32 3.83 0.00 1.91 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 2.32 2.42 0.00 45 P 0.00 4.05 0.00 2.24 2.01 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 46 L 8.61 4.03 0.00 1.66 1.68 0.92 0.87 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 47 G 7.83 4.27 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 0.00 48 K 8.08 4.57 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.09 4.46 0.00 3.77 3.68 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 50 G 8.95 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 0.00 0.00 0.00 51 F 8.24 5.10 0.00 3.06 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 52 K 8.54 4.47 0.00 1.75 1.69 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.41 7.81 53 R 8.29 4.58 0.00 1.84 1.93 0.00 3.47 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 54 P 0.00 4.23 0.00 2.23 2.26 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 55 Q 8.92 3.86 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.10 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 56 K 8.02 4.33 0.00 1.87 1.92 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.43 7.81 57 V 8.26 4.32 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 0.85 0.00 0.00 0.99 0.00 0.00 58 Q 7.96 4.56 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.40 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 59 E 8.57 4.76 0.00 2.02 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 2.47 2.29 0.00 60 E 8.80 4.55 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 61 A 8.35 4.16 0.51 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 62 A 8.54 4.30 1.17 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 0.00 0.00 63 T 8.19 4.98 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 1.14 0.00 0.00 64 I 8.33 4.54 1.84 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 1.23 1.36 0.95 0.00 0.00 65 D 8.76 5.11 0.00 2.75 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 66 V 8.67 3.73 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.04 0.00 0.00 67 R 7.65 3.89 0.00 2.00 2.00 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 68 E 8.01 3.92 0.00 2.02 2.12 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 2.31 2.34 0.00 69 I 7.69 3.82 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.90 0.94 0.00 0.00 70 D 8.24 4.44 0.00 2.86 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 71 E 8.36 4.16 0.00 2.21 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 2.36 2.50 0.00 72 N 7.68 4.93 0.00 2.66 2.78 0.00 0.00 7.13 7.87 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 73 V 7.57 3.55 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.77 0.00 0.00 74 T 7.68 3.78 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 1.20 0.00 0.00 75 L 7.72 4.11 0.00 1.61 1.72 0.90 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 76 L 7.10 4.51 0.00 1.60 1.48 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.44 4.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.84 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.27 4.99 0.00 2.62 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 80 D 8.59 4.37 0.00 2.79 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 81 V 8.26 4.84 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 1.05 0.00 0.00 1.08 0.00 0.00 82 A 7.65 4.57 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 83 E 8.75 3.75 0.00 2.01 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 0.00 2.23 2.29 0.00 *89 F 7.83 4.74 0.00 3.16 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 90 R 8.47 5.15 0.00 1.86 2.03 0.00 3.23 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 91 V 8.72 4.40 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 0.69 0.00 0.00 0.98 0.00 0.00 92 D 8.84 4.61 0.00 2.81 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 93 V 8.56 3.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.08 0.00 0.00 94 R 8.06 4.21 0.00 1.85 2.00 0.00 3.25 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 95 D 8.19 4.86 0.00 2.76 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 96 V 8.08 4.14 2.18 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 0.75 0.00 0.00 0.95 0.00 0.00 97 V 7.59 3.67 2.04 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 0.81 0.00 0.00 0.96 0.00 0.00 98 E 8.56 4.19 0.00 2.05 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 2.37 2.31 0.00 99 E 8.87 4.05 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 100 A 7.39 3.93 1.32 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 0.00 0.00 101 D 7.53 4.46 0.00 2.56 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.03 4.58 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.46 4.74 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 0.00 104 D 8.85 4.74 0.00 2.99 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 0.00 105 Y 6.87 4.61 0.00 3.15 2.97 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 0.00 106 V 9.02 4.56 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 0.86 0.00 0.00 0.90 0.00 0.00 107 K 9.16 4.94 0.00 1.90 1.53 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.43 7.81 108 V 8.77 4.62 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 1.09 0.00 0.00 0.75 0.00 0.00 109 L 9.19 4.52 0.00 1.82 1.57 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.47 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 0.00 0.00 0.00 0.00 111 A 8.09 4.70 1.32 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 0.00 0.00 112 G 9.11 3.76 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 0.00 0.00 0.00 113 Q 8.17 4.44 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.20 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 114 V 7.75 4.51 2.24 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 1.17 0.00 0.00 0.97 0.00 0.00 115 R 8.20 4.20 0.00 1.69 1.84 0.00 3.19 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 116 H 7.95 5.20 0.00 3.31 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.79 4.50 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 118 L 8.56 5.13 0.00 1.63 1.63 1.04 0.86 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 0.00 119 T 8.55 5.12 4.34 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 1.24 0.00 0.00 120 L 7.90 4.70 0.00 1.71 1.95 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 I 9.09 5.87 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.65 1.10 0.00 0.00 122 A 8.80 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.68 4.47 0.00 3.00 2.78 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 0.00 124 D 7.58 4.65 0.00 2.69 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 0.00 125 F 8.84 5.51 0.00 2.87 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 0.00 126 S 8.62 4.58 0.00 3.96 4.04 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 0.00 127 E 9.03 4.06 0.00 2.08 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 0.00 2.40 2.40 0.00 128 G 8.13 3.64 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 0.00 0.00 0.00 129 A 7.90 4.10 1.59 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 0.00 130 R 8.07 3.91 0.00 2.05 1.94 0.00 3.16 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 131 E 8.20 3.92 0.00 2.04 2.04 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 2.34 2.60 0.00 132 K 7.91 4.30 0.00 1.88 1.89 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.54 7.81 133 V 8.04 4.04 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 1.08 0.00 0.00 1.07 0.00 0.00 134 E 7.51 4.83 0.00 2.03 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 2.47 2.17 0.00 135 G 8.34 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 0.00 0.00 0.00 136 A 7.45 4.57 1.42 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 0.00 137 G 8.37 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.36 4.38 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 0.00 139 S 9.22 5.02 0.00 3.76 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 0.00 140 V 8.24 4.22 1.73 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 -0.69 0.00 0.00 0.66 0.00 0.00 141 E 9.51 4.57 0.00 1.96 1.87 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 2.20 2.17 0.00 142 L 8.52 5.09 0.00 1.80 1.65 1.14 1.13 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 0.00 143 T 8.53 4.22 4.27 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 1.24 0.00 0.00 144 D 8.77 4.42 0.00 2.72 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 0.00 145 L 8.05 3.96 0.00 1.69 1.78 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.77 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 0.00 147 E 7.86 4.14 0.00 2.07 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 2.35 2.41 0.00 148 E 7.49 4.39 0.00 1.85 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 0.00 2.30 2.21 0.00 149 R 7.03 4.54 0.00 1.84 1.77 0.00 3.28 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 150 Q 7.78 4.25 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.