NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3514 8.1749 115.2492 62.2718 68.5810 172.5578 2 E 4.6433 8.1232 118.5022 55.6866 33.0101 174.1719 3 T 4.8380 9.1312 119.2564 62.7164 73.7083 173.2568 4 T 4.7072 8.2034 118.9146 62.9258 72.5590 173.4750 5 S 4.5727 7.9754 120.5708 57.8208 66.9003 173.2339 6 F 4.6912 7.6416 115.2364 56.9449 39.3618 173.4263 7 S 4.5479 8.5686 115.1807 57.0688 65.5217 173.6917 8 I 4.3433 8.2980 123.7164 60.2082 39.4259 175.1235 9 T 4.4711 8.3729 121.0342 63.3892 69.4805 175.4219 10 K 4.5043 7.2963 120.8872 55.1130 33.8577 175.3848 11 F 4.1897 8.9656 123.1985 57.0377 37.2196 175.7599 12 G 4.0767 8.3175 114.7411 44.5270 0.0000 170.4062 13 P 4.2757 0.0000 0.0000 65.3470 31.4047 176.9793 14 D 4.6387 7.9556 118.3897 53.7385 41.0896 176.4108 15 Q 4.6751 8.2604 128.1618 54.7204 29.6727 172.5795 16 P 4.2936 0.0000 0.0000 63.4025 32.5690 177.3258 17 N 4.5896 7.9583 116.7718 52.6999 37.5407 173.9193 18 L 4.9568 7.0721 117.0839 53.2226 45.9896 175.8913 19 I 4.1213 8.1334 121.8307 59.5241 39.9305 174.5441 20 F 5.2571 8.4597 126.1382 56.1812 40.3282 175.3821 21 Q 4.5709 8.9703 122.5965 54.9489 31.8528 177.1490 22 G 3.9260 8.5305 108.7564 46.5516 0.0000 174.5184 23 D 4.8119 9.1862 126.6793 54.5725 41.5010 177.0917 24 G 3.7818 7.9290 106.5074 47.0178 0.0000 172.6889 25 Y 4.7295 8.2620 130.6604 56.1419 41.5701 174.7103 26 T 4.5950 8.2991 111.2099 61.6042 70.5646 173.3055 27 T 4.2046 8.9476 121.0590 64.1556 72.9138 173.1642 28 K 3.9580 9.4674 123.3631 57.5819 30.5024 175.3724 29 E 4.6346 8.5413 111.3479 55.8766 27.2496 174.1436 30 R 4.5984 7.9830 118.1354 54.0638 32.5932 174.9691 31 L 4.2181 7.9828 124.7405 54.4099 42.1516 176.1565 32 T 4.1349 7.8571 118.2040 60.3485 69.1431 175.5182 33 L 4.2176 8.2476 127.1584 56.8560 42.5154 177.1755 34 T 4.6393 7.3587 111.1644 62.6143 72.2829 172.5948 35 K 4.4740 8.5954 125.0504 54.5096 33.7699 175.1015 36 A 4.1836 8.4298 127.8990 52.0875 17.7334 176.5447 37 V 4.5100 7.3963 118.8318 60.5864 35.5649 174.6772 38 R 3.9839 8.7652 122.2519 56.6513 30.8777 177.6974 39 N 3.9912 7.4586 116.3754 55.3345 36.8283 173.4634 40 T 4.5430 7.4461 109.3902 60.3673 71.3522 174.2625 41 V 4.4485 7.9896 120.9082 61.4795 34.8890 173.6169 42 G 5.0238 8.6742 113.9951 43.5886 0.0000 171.7091 43 R 5.0415 8.9822 121.4734 54.8300 35.3691 174.0733 44 A 5.0533 8.3038 120.6259 51.2929 22.1069 175.7584 45 L 4.7032 8.6375 122.3971 52.4488 45.8201 175.5682 46 Y 4.0187 8.3578 122.8038 57.7353 38.9670 175.2478 47 S 3.8774 7.5044 122.1577 61.6269 62.2410 174.6820 48 S 4.0840 6.7138 115.3601 57.4237 63.2395 172.4344 49 P 4.3689 0.0000 0.0000 62.3605 31.8370 175.9423 50 I 4.1180 8.0811 116.1803 60.0941 38.8583 175.5302 51 H 4.5653 8.4622 122.9527 55.2684 28.7607 174.2974 52 I 4.1687 8.1020 128.2907 63.0619 39.1260 175.2140 53 W 5.4881 7.5621 116.2390 54.9919 31.1674 173.8387 54 D 4.6572 8.3776 121.4677 52.8801 41.3641 176.2350 55 S 4.6609 8.7008 121.5414 61.4220 63.5141 176.4211 56 K 3.8805 8.0101 120.8625 58.5021 32.1131 177.6498 57 T 4.4776 8.3593 112.6831 62.2171 69.0684 174.6535 58 G 4.0567 8.8886 108.0273 46.3914 0.0000 173.4546 59 N 4.8543 7.9944 117.2852 53.0442 40.2530 173.7887 60 V 4.8551 8.1791 117.7485 61.6436 35.0771 173.9309 61 A 4.8075 8.9078 127.0288 50.9452 20.0166 177.1872 62 N 5.0989 8.9185 119.4003 53.3145 40.2292 174.1992 63 F 5.1248 8.6088 113.4225 56.6634 41.6043 173.2236 64 V 5.0462 8.4830 118.4841 60.9810 34.2447 173.3042 65 T 4.8856 8.6159 116.7714 61.0103 71.4659 172.2153 66 S 4.9156 8.3349 117.4302 57.5316 65.6984 173.4603 67 F 4.8971 7.9966 114.7413 56.5137 41.3693 172.3336 68 T 5.1684 8.8075 115.0666 60.3865 69.4757 172.8569 69 F 5.0648 8.5360 121.9828 55.1911 42.2466 173.5423 70 V 4.3441 8.2127 117.6925 61.4689 34.4145 174.8698 71 I 4.3850 8.4256 128.6008 59.6818 38.1831 173.0667 72 D 4.7520 8.5994 124.7100 52.9659 40.2729 174.6214 73 A 4.6829 9.2855 130.0584 49.7268 20.3630 176.6158 74 P 4.7175 0.0000 0.0000 62.7845 30.6951 176.4721 75 N 4.5123 7.8794 117.5597 52.7098 41.7933 179.3273 76 S 3.9364 8.9419 122.1663 60.9451 62.8248 175.1519 *77 Y 4.1766 6.7836 120.3015 59.1194 37.0806 181.7902 78 N 4.8447 7.8533 117.8623 53.1980 38.8252 176.0565 79 V 3.7814 7.6593 117.9145 63.3070 32.2076 174.9804 80 A 4.6959 8.0064 125.6982 51.7936 21.7611 175.5235 81 D 4.9566 9.8881 118.2102 52.7523 43.4885 175.4490 82 G 4.8000 7.3667 108.2927 44.6123 0.0000 171.2282 83 F 5.0849 8.3511 123.1165 56.6773 42.3603 174.3911 84 T 5.1054 6.9914 118.5594 61.8385 72.9816 172.8498 85 F 4.6836 8.8906 125.4810 56.3456 42.2738 173.8764 86 F 5.3068 7.5031 119.4807 55.1312 41.6901 173.6279 87 I 4.3879 8.4481 118.9177 59.6508 40.5195 174.8439 88 A 5.1342 8.2993 125.5716 51.4149 22.2535 174.0198 89 P 4.3943 0.0000 0.0000 62.3229 32.1509 177.5442 90 V 3.5088 8.4498 119.5139 66.3112 31.2495 176.4214 91 D 4.5990 7.8659 116.4941 53.5360 39.2286 175.8246 92 T 3.8095 7.7464 115.4732 62.7824 66.7997 173.7944 93 K 4.4768 8.0723 127.9668 54.1039 34.9708 173.9688 94 P 4.3132 0.0000 0.0000 63.2815 31.8774 176.2619 95 Q 4.7252 7.8608 120.1714 55.0808 32.0171 175.4998 96 T 3.8113 7.7875 117.2658 64.4568 69.5292 174.5832 97 G 4.4060 8.7885 119.1030 43.8397 0.0000 172.3667 98 G 3.7368 8.7425 112.1585 46.4389 0.0000 176.3589 99 G 4.5182 8.9959 111.3845 48.0889 0.0000 173.2879 100 Y 4.0781 8.5220 116.8680 58.0710 37.9247 175.7548 101 L 3.7748 8.6506 118.7235 55.5726 40.1138 175.4768 102 G 4.3227 8.1591 103.3800 45.3321 0.0000 175.7871 103 V 3.3491 7.5352 118.1534 62.6752 32.4001 175.1737 104 F 5.1076 7.6143 116.4907 55.6974 42.2655 174.8907 105 N 4.0799 8.9637 117.0372 53.1288 40.4930 174.7069 106 S 4.7985 7.5156 110.8651 57.2101 65.8320 174.2470 107 K 4.0366 8.4367 117.9535 57.2973 33.0024 176.2580 108 D 4.5756 7.4304 119.8341 53.0692 41.2955 175.4191 109 Y 4.0997 8.7431 125.6021 58.1486 38.9262 174.6535 110 D 4.9081 8.1451 127.1923 51.8306 43.2672 175.6735 111 K 3.9892 8.8628 127.7761 59.8555 32.5706 177.6500 112 T 4.0140 8.3103 114.3388 66.8904 68.6156 175.1980 113 S 4.1571 7.9199 116.2785 61.7742 63.2157 175.9830 114 Q 3.3519 8.0626 116.9365 57.3861 26.7885 174.6965 115 T 5.4768 7.6904 112.8786 60.8732 72.3203 174.3528 116 V 4.6879 8.4147 126.8393 62.0614 33.5391 174.5855 117 A 5.1211 9.2495 128.3148 50.8030 23.4781 175.3471 118 V 4.5516 9.3797 123.5951 61.8343 32.7377 174.3846 119 E 5.0320 9.2133 127.5358 54.5615 32.0654 175.6583 120 F 4.8688 8.9541 120.9446 55.8556 38.6245 173.8689 121 D 5.0444 8.6948 121.5003 54.1800 42.7556 176.6307 122 T 5.2049 8.7732 114.8212 61.1624 69.9974 173.2532 123 F 4.8857 9.4729 124.0201 57.5504 42.7578 173.1774 124 Y 4.4265 8.1316 127.3238 56.8858 38.9537 173.8134 125 N 4.4505 8.9367 127.0410 51.1607 38.5336 175.4982 126 T 3.2837 7.7076 114.1431 63.6182 68.5472 176.3412 127 A 4.0487 7.1644 123.2626 54.1044 18.4638 178.1337 128 W 5.1872 6.7162 108.2025 56.8114 30.9393 174.4149 129 D 5.0214 7.8847 119.7559 52.0840 42.2295 174.4542 130 P 4.3341 0.0000 0.0000 63.0964 31.7857 177.9217 131 S 4.0504 8.8436 118.7707 61.7034 62.8432 175.6371 132 N 4.2081 8.0068 115.7889 53.4735 37.2060 175.4172 133 G 3.0082 7.3883 106.8841 46.1229 0.0000 173.0781 134 D 4.6908 8.1304 118.9368 52.6044 42.1537 176.9585 135 R 4.4452 8.4012 121.9781 57.5331 31.3871 175.1028 136 H 5.3951 9.2093 114.9648 55.2617 32.0221 173.3863 137 I 4.2085 8.5184 121.1603 60.8186 39.0358 175.1525 138 G 4.0753 7.8810 108.1627 46.0933 0.0000 172.7772 139 I 4.9024 7.9491 123.7342 60.2810 38.8636 174.6844 140 D 5.3094 9.0956 124.4818 52.9276 45.1795 175.8275 141 V 4.4760 8.2977 121.4580 61.3089 32.5082 173.0421 142 N 4.3344 10.0418 124.5947 53.5740 36.3183 174.2558 143 S 4.0523 5.8100 108.7848 57.5918 64.6958 175.7708 144 I 3.8809 7.2901 120.7330 60.8031 37.8509 175.7083 145 K 4.3437 7.2378 120.8322 55.2939 31.5818 175.8884 146 S 5.1005 8.8490 122.1842 58.6121 63.2773 174.4209 147 I 4.4705 8.8028 112.7920 59.0265 37.8583 174.6112 148 N 4.8265 7.1075 128.2727 54.4316 41.0668 173.4636 149 T 5.1077 7.6068 115.8318 61.2141 72.0861 172.0690 150 K 4.2392 8.0245 116.7127 55.9808 36.1749 175.5245 151 S 4.9458 9.1361 124.0793 59.0970 63.7437 173.7544 152 W 5.1844 8.8249 132.2935 55.8948 33.5394 175.9350 153 K 3.9581 8.6720 129.8086 54.0145 30.0797 174.7682 154 L 3.1166 6.4774 121.8465 55.1153 42.6575 177.0470 155 Q 4.1175 8.6730 125.1758 52.8782 28.6109 171.6914 156 N 4.4454 8.2272 119.3920 56.2839 38.4553 174.7083 157 G 4.0313 8.6188 115.6769 44.9600 0.0000 172.7171 158 K 4.3453 8.0851 119.5034 55.7137 32.9473 176.7169 159 E 4.1956 8.5674 121.7094 56.4485 30.6394 176.7258 160 A 3.9253 8.2668 124.2068 49.5980 21.4273 175.3215 161 N 4.6455 8.3405 118.7263 54.5865 40.1456 174.6526 162 V 4.7642 8.3090 120.2816 61.7206 35.8354 173.7098 163 V 4.6702 7.7602 123.7587 61.5898 35.6927 173.9023 164 I 4.9651 8.6300 126.7347 60.0728 40.9126 173.8032 165 A 5.0005 9.2760 129.6088 49.9764 22.2001 174.7441 166 F 5.1310 8.7778 121.9741 56.4716 43.9143 173.1464 167 N 5.0494 6.5735 119.5995 51.8320 41.5625 175.4191 168 G 3.6949 9.7561 115.9798 48.6384 0.0000 174.6353 169 A 4.0742 8.4861 123.2339 55.0608 17.4213 178.9492 170 T 3.8515 7.7956 104.9155 62.6106 69.3266 175.3213 171 N 3.5403 7.9084 117.7147 53.5895 36.4379 174.6321 172 V 4.0174 6.5647 118.5680 60.1375 31.5455 175.2623 173 L 4.3873 8.4512 128.8927 55.5954 43.1093 176.2847 174 T 4.5650 9.1219 122.2915 62.2481 71.9786 173.2718 175 V 4.9375 8.4052 119.6088 59.9406 33.7633 176.8846 176 S 4.5100 8.6866 117.9417 57.1087 64.5563 172.8858 177 L 4.1844 8.3586 129.0989 56.4967 42.8795 177.2133 178 T 4.7457 8.4225 121.5592 62.3452 70.6132 172.2419 179 Y 3.9629 8.4480 122.4727 56.8578 39.0818 173.5000 180 P 4.1640 0.0000 0.0000 63.1616 31.3267 175.9072 181 N 4.5252 8.6419 120.8101 53.6311 38.9027 174.7148 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 8.17 4.35 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 2 E 8.12 4.64 0.00 2.09 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 2.17 2.46 0.00 3 T 9.13 4.84 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 4 T 8.20 4.71 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 1.39 0.00 0.00 5 S 7.98 4.57 0.00 3.83 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 6 F 7.64 4.69 0.00 3.02 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 7 S 8.57 4.55 0.00 3.93 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 8 I 8.30 4.34 1.44 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 -0.36 0.00 0.00 9 T 8.37 4.47 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 1.25 0.00 0.00 10 K 7.30 4.50 0.00 1.68 1.86 0.00 2.07 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.46 7.81 11 F 8.97 4.19 0.00 3.22 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 12 G 8.32 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 13 P 0.00 4.28 0.00 2.08 2.14 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 14 D 7.96 4.64 0.00 2.64 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 15 Q 8.26 4.68 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.76 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 16 P 0.00 4.29 0.00 2.19 2.15 0.00 3.83 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 1.96 1.95 0.00 17 N 7.96 4.59 0.00 2.69 2.98 0.00 0.00 5.99 6.67 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 18 L 7.07 4.96 0.00 1.27 0.75 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.13 4.12 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.60 0.80 0.00 0.00 20 F 8.46 5.26 0.00 3.01 3.26 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 21 Q 8.97 4.57 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.69 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 22 G 8.53 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 23 D 9.19 4.81 0.00 2.61 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.93 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 25 Y 8.26 4.73 0.00 2.77 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 26 T 8.30 4.59 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 1.15 0.00 0.00 27 T 8.95 4.20 4.39 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 1.30 0.00 0.00 28 K 9.47 3.96 0.00 1.91 1.89 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.47 7.81 29 E 8.54 4.63 0.00 2.23 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 0.00 2.27 2.32 0.00 30 R 7.98 4.60 0.00 2.00 1.74 0.00 3.13 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 31 L 7.98 4.22 0.00 0.66 0.75 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.86 4.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 33 L 8.25 4.22 0.00 1.78 1.79 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.36 4.64 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 1.26 0.00 0.00 35 K 8.60 4.47 0.00 1.85 1.80 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.58 7.81 36 A 8.43 4.18 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 37 V 7.40 4.51 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 0.87 0.00 0.00 0.99 0.00 0.00 38 R 8.77 3.98 0.00 1.89 1.86 0.00 3.35 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 39 N 7.46 3.99 0.00 2.73 3.09 0.00 0.00 6.90 7.70 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 40 T 7.45 4.54 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 41 V 7.99 4.45 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 0.93 0.00 0.00 0.93 0.00 0.00 42 G 8.67 5.02 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 0.00 0.00 0.00 43 R 8.98 5.04 0.00 1.77 1.85 0.00 2.95 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 44 A 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0.00 4.31 0.00 1.91 1.97 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 95 Q 7.86 4.73 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.85 0.00 0.00 0.00 0.00 0.00 2.07 2.38 0.00 96 T 7.79 3.81 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 0.99 0.00 0.00 97 G 8.79 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.74 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 99 G 9.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.52 4.08 0.00 3.43 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 0.00 101 L 8.65 3.77 0.00 1.78 1.71 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.16 4.32 0.00 0.00 0.00 0.00 0.00 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0.00 1.15 0.00 0.00 119 E 9.21 5.03 0.00 2.12 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 0.00 2.55 2.35 0.00 120 F 8.95 4.87 0.00 3.21 2.71 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 0.00 0.00 0.00 0.00 121 D 8.69 5.04 0.00 3.05 2.46 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 0.00 122 T 8.77 5.20 4.45 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 1.83 0.00 0.00 123 F 9.47 4.89 0.00 2.99 3.06 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 0.00 124 Y 8.13 4.43 0.00 2.92 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 0.00 125 N 8.94 4.45 0.00 1.60 1.42 0.00 0.00 6.28 6.91 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 0.00 126 T 7.71 3.28 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 0.87 0.00 0.00 127 A 7.16 4.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 W 6.72 5.19 0.00 3.36 3.29 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 0.00 129 D 7.88 5.02 0.00 2.72 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 0.00 130 P 0.00 4.33 0.00 2.17 1.94 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.08 0.00 131 S 8.84 4.05 0.00 3.81 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 0.00 132 N 8.01 4.21 0.00 2.71 2.87 0.00 0.00 5.99 7.00 0.00 0.00 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 G 7.39 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 0.00 0.00 0.00 134 D 8.13 4.69 0.00 2.79 2.63 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 0.00 135 R 8.40 4.45 0.00 1.88 2.10 0.00 2.81 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 136 H 9.21 5.40 0.00 3.44 3.59 0.00 5.25 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.52 4.21 1.80 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 0.64 0.68 0.54 0.00 0.00 138 G 7.88 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 0.00 139 I 7.95 4.90 1.92 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 1.28 0.94 1.00 0.00 0.00 140 D 9.10 5.31 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.30 4.48 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 0.74 0.00 0.00 1.05 0.00 0.00 142 N 10.04 4.33 0.00 1.92 2.39 0.00 0.00 6.48 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 0.00 143 S 5.81 4.05 0.00 3.61 3.52 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 0.00 144 I 7.29 3.88 1.53 0.00 0.00 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 0.58 0.97 -0.82 0.00 0.00 145 K 7.24 4.34 0.00 1.75 1.70 0.00 1.96 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.82 7.81 146 S 8.85 5.10 0.00 3.97 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 0.00 147 I 8.80 4.47 1.90 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 1.35 0.70 0.96 0.00 0.00 148 N 7.11 4.83 0.00 2.85 2.79 0.00 0.00 6.60 7.22 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 0.00 149 T 7.61 5.11 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 1.24 0.00 0.00 150 K 8.02 4.24 0.00 1.89 1.70 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.46 7.81 151 S 9.14 4.95 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 W 8.82 5.18 0.00 3.32 3.19 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 0.00 153 K 8.67 3.96 0.00 1.65 1.61 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.27 1.24 7.81 154 L 6.48 3.12 0.00 0.27 0.88 1.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 8.67 4.12 0.00 1.29 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.55 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 156 N 8.23 4.45 0.00 2.64 2.79 0.00 0.00 7.52 7.98 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 0.00 157 G 8.62 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 0.00 158 K 8.09 4.35 0.00 2.24 1.99 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.51 7.81 159 E 8.57 4.20 0.00 1.79 1.77 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 2.26 2.29 0.00 160 A 8.27 3.93 0.01 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 0.00 161 N 8.34 4.65 0.00 2.73 2.64 0.00 0.00 6.43 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 0.00 162 V 8.31 4.76 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.89 0.00 0.00 163 V 7.76 4.67 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.80 0.00 0.00 164 I 8.63 4.97 1.71 0.00 0.00 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 1.19 1.00 0.96 0.00 0.00 165 A 9.28 5.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.78 5.13 0.00 2.01 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 0.00 167 N 6.57 5.05 0.00 2.52 2.23 0.00 0.00 6.77 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 0.00 168 G 9.76 3.69 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 0.00 0.00 0.00 169 A 8.49 4.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.80 3.85 4.11 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 1.14 0.00 0.00 171 N 7.91 3.54 0.00 2.76 2.96 0.00 0.00 6.99 7.72 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 0.00 172 V 6.56 4.02 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 0.50 0.00 0.00 0.89 0.00 0.00 173 L 8.45 4.39 0.00 1.84 1.71 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 174 T 9.12 4.56 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 1.18 0.00 0.00 175 V 8.41 4.94 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 0.76 0.00 0.00 0.88 0.00 0.00 176 S 8.69 4.51 0.00 3.86 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 0.00 177 L 8.36 4.18 0.00 1.76 1.71 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.42 4.75 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 1.22 0.00 0.00 179 Y 8.45 3.96 0.00 2.90 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 0.00 180 P 0.00 4.16 0.00 2.07 2.07 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 181 N 8.64 4.53 0.00 2.72 2.71 0.00 0.00 7.08 7.56 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 * Residues marked with a * may have inaccurate shift predictions.