NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4559 8.2348 114.8088 57.8473 64.5651 172.4863 3 N 4.8922 7.9921 117.5733 52.1229 42.1027 171.7475 4 T 4.6100 8.9820 116.9964 62.6350 71.4373 174.4789 5 L 4.8536 7.9673 118.3278 53.8023 44.3228 176.3913 6 F 4.6897 7.5818 117.7470 57.6007 42.5747 171.9205 7 D 5.0944 7.6616 124.5744 52.4656 44.2901 173.5509 8 D 4.2969 7.6741 122.9230 54.1849 46.1130 174.5505 9 I 5.2161 7.8316 122.2576 59.5668 40.6481 174.9753 10 F 6.0521 9.8338 123.6343 54.8401 43.8720 173.5108 11 Q 5.7050 8.4602 119.9362 53.1510 32.1775 174.1039 12 V 3.9396 8.5807 126.6365 63.3120 31.8842 176.4303 13 S 4.2420 9.3397 125.2515 61.3490 63.4601 174.4980 14 E 4.7497 7.7785 116.9764 55.1666 32.6636 174.5137 15 V 4.5418 8.5660 125.9098 61.2139 33.8305 174.1425 16 D 4.8598 8.8813 126.9064 52.0014 43.9896 172.6825 17 P 5.2134 0.0000 0.0000 60.8991 30.6617 174.9451 18 G 3.6858 7.9624 118.7223 45.3163 0.0000 170.9850 19 R 3.9370 7.9330 120.3156 58.3425 27.7790 177.0173 20 Y 5.1761 7.4300 112.5742 56.1143 38.1672 176.2620 21 N 4.1681 7.9858 119.1730 55.6244 39.7162 176.0717 22 K 4.5694 8.0689 114.3613 55.8611 33.5462 175.2038 23 V 4.8645 8.1189 118.8511 61.7083 34.8007 173.6093 24 C 5.1994 8.9490 123.4755 58.0204 32.7555 172.8024 25 R 4.7870 8.6881 122.4402 55.4031 31.4526 175.2354 26 I 5.0589 8.9929 126.3995 59.6812 41.2536 174.5085 27 E 5.0876 8.6244 121.7792 55.0202 33.6173 174.6345 28 A 5.2928 8.9472 125.2119 50.4778 23.7013 173.6254 29 A 5.1216 8.7877 119.1738 50.4138 23.0500 175.0493 30 S 4.4390 8.1985 113.5938 56.5980 63.5128 175.1521 31 T 4.4781 7.4024 125.0532 61.8903 69.0588 173.5137 32 T 4.2551 7.4177 123.7736 63.8007 76.4400 177.4461 33 Q 4.1491 9.0593 128.5655 56.9420 29.8037 175.9337 34 D 4.9305 8.6802 121.0019 55.0407 40.9091 176.7534 35 Q 4.3840 7.7316 119.8855 57.7563 30.3564 175.6550 36 C 5.2611 8.1418 121.0893 59.6701 31.6881 172.5918 37 K 4.7508 8.5341 125.2434 54.6631 35.1772 175.0494 38 L 5.0139 8.6981 122.6953 53.9409 46.1911 175.4937 39 T 4.7712 8.7603 120.9013 62.0449 72.5165 172.7345 40 L 5.0753 9.2600 128.9995 53.3971 45.7192 175.2930 41 D 5.0777 8.8368 126.2504 54.9257 42.1276 176.0439 42 I 4.5527 8.7921 121.0067 60.1262 42.0864 173.4562 43 N 4.4673 9.8239 126.5037 53.5809 38.9957 175.0860 44 V 3.8472 7.8349 129.4256 63.1970 31.8617 176.7500 45 E 4.5047 8.3077 118.1880 56.3038 32.0490 175.6302 46 L 4.4635 8.4751 116.8786 55.3502 42.6584 177.1658 47 F 4.9122 7.4530 118.9215 55.8193 40.3788 171.6650 48 P 4.3058 0.0000 0.0000 62.4911 32.1372 176.3168 49 V 4.0934 7.8464 118.4690 61.7902 34.2814 173.3075 50 A 4.7405 7.8336 129.4126 49.4800 21.5974 175.6012 51 A 3.8074 8.5009 121.8523 54.0234 18.6068 176.3919 52 Q 3.4624 8.8479 124.1778 56.3039 26.1264 172.4615 53 D 4.8287 8.0267 120.9565 53.0134 46.3273 174.8145 54 S 4.8352 8.5168 115.3857 57.1467 61.9341 172.7175 55 L 4.7075 8.8107 127.9346 55.2823 43.8255 175.8138 56 T 5.0830 8.5492 120.2087 62.1459 70.0564 173.4540 57 V 4.7667 8.7399 127.4571 61.4313 33.7444 175.0350 58 T 5.6113 8.1355 122.0079 61.7346 73.7297 174.1137 59 I 5.0876 8.6175 124.6779 60.2789 40.3896 176.6899 60 A 3.9956 9.4508 134.9402 52.5986 18.5259 178.2372 61 S 4.9717 9.4803 115.2707 53.8793 62.3232 172.6625 62 S 5.2387 6.9909 131.7473 59.1812 62.9828 177.8002 63 L 3.9994 6.6446 134.3152 55.4869 41.2227 177.9632 64 N 4.4705 7.6786 115.9070 54.3272 39.9667 176.7756 65 L 3.5984 7.6561 114.6236 56.0874 39.5935 175.4127 *76 T 4.1233 7.5314 113.5184 63.7976 69.4705 171.1629 77 R 3.7638 7.9721 125.2368 55.1460 30.6722 177.0225 78 S 4.2455 8.6378 115.4566 58.4020 63.3637 173.5791 79 W 4.6755 8.7834 131.5635 56.4178 31.3325 175.8328 80 R 4.1910 7.8867 124.7716 54.0543 31.8712 176.2154 81 P 4.2711 0.0000 0.0000 61.3012 32.3883 174.9751 82 P 4.2263 0.0000 0.0000 64.0788 29.5960 177.0629 83 Q 3.9210 9.7219 121.2478 56.8707 28.0471 175.7695 84 A 4.2961 7.6806 115.5992 52.8377 17.7908 179.2234 85 G 3.7079 8.4297 110.5435 49.3124 0.0000 174.6026 86 D 4.7532 7.9412 115.5703 53.6533 42.2943 174.9286 87 R 4.5183 7.6536 117.7371 54.1259 32.2678 175.8605 88 S 4.2849 8.2285 112.8287 59.8877 63.1708 175.1144 89 L 4.5066 7.8037 118.2777 54.6102 43.6807 175.6168 90 A 4.4773 8.1764 122.1548 52.5476 18.2530 177.4667 91 D 5.0546 8.3441 118.1784 55.3074 39.9989 178.1638 92 D 4.8534 8.4808 116.3890 55.9742 40.4971 175.9037 93 Y 4.8722 8.5949 119.3810 57.0743 40.5310 174.7910 94 D 5.0085 9.1798 119.3727 54.9032 43.4696 175.7815 95 Y 4.5272 7.5781 120.8285 56.4370 41.9594 173.4270 96 V 5.1497 8.5773 126.3527 60.6841 34.3211 174.3056 97 M 4.7235 8.2020 127.3095 54.1469 35.6509 174.2162 98 Y 5.1417 8.3624 119.8784 57.3633 41.3674 173.7589 99 G 3.6966 8.7471 115.9591 45.7966 0.0000 171.3557 100 T 5.0847 9.0539 116.5504 60.5206 73.2128 172.8181 101 A 4.4362 8.1583 124.4673 50.5585 20.5160 175.7700 102 Y 4.4525 8.2244 119.7487 58.0935 39.5779 175.8951 103 K 4.7158 7.1466 121.3922 53.8852 35.8994 174.3572 104 F 5.1153 8.7285 123.5434 55.4866 38.5890 174.4835 105 E 4.1661 8.9738 123.1349 56.1946 31.4166 175.3427 106 E 5.0125 8.5877 124.8349 53.8144 29.5875 176.8639 107 V 3.7987 8.1003 129.6138 62.9315 30.0281 175.3666 108 S 3.5637 8.2511 119.3036 58.1727 64.8974 174.3341 109 K 3.5483 8.1149 119.1513 58.1722 31.1609 177.5345 110 D 4.9297 8.5765 118.9319 53.6382 38.9738 177.2502 111 L 5.1959 8.0216 118.9215 52.9153 45.5043 177.3325 112 I 4.9471 8.3156 124.8712 59.3408 39.8704 174.7417 113 A 5.2211 8.6675 127.7481 49.1659 22.3626 175.1051 114 V 4.4163 7.8831 113.7877 59.6113 34.8055 174.2989 115 Y 4.8961 8.2068 121.5775 56.8139 40.1999 174.3850 116 Y 4.6152 8.9650 119.6079 56.4270 42.8424 174.6588 117 S 4.7513 9.0554 115.7169 57.3315 66.1997 173.2603 118 F 4.6155 9.8227 128.8265 56.0859 38.2886 175.9502 119 G 3.7146 8.9887 115.9138 46.6304 0.0000 171.1288 120 G 3.9029 7.1989 105.1500 44.8181 0.0000 173.8960 121 L 4.7011 8.0715 120.8638 53.1919 43.6032 176.7372 122 L 5.1924 9.3856 125.2008 54.6679 44.0413 175.2781 123 M 5.2467 8.8591 117.6369 55.0820 36.3438 173.2389 124 R 4.7255 9.3393 123.9185 54.4931 34.1076 173.4285 125 L 5.1066 8.2928 127.2973 53.1545 45.7002 174.5811 126 E 4.7848 8.8198 125.2986 52.9645 33.5790 173.7551 127 G 4.1886 7.7777 117.5266 45.8617 0.0000 173.5530 128 N 4.8908 8.0230 131.7456 53.5987 40.2862 173.3163 129 Y 4.7772 6.8988 113.0947 57.3375 38.8313 175.8618 130 R 4.7226 7.3610 119.5089 56.3446 30.8054 178.3557 131 N 4.3949 8.5002 117.1443 56.0017 38.8533 176.5092 132 L 4.7694 7.9699 114.1226 54.5352 42.5252 175.8570 133 N 4.7444 8.0955 114.9367 54.9645 40.2985 175.3622 134 N 4.5921 7.8449 120.8866 52.6233 37.6611 174.5641 135 L 4.3853 8.3306 125.9654 54.7844 42.3023 176.9856 136 K 4.7121 8.3193 115.7724 56.5846 33.5516 176.4578 137 Q 4.3011 7.8912 117.8988 55.2243 29.5208 175.9043 138 E 4.0147 8.8181 118.8780 59.5274 29.9382 175.8055 139 N 4.3302 7.6460 113.2841 52.4613 38.9215 174.9592 140 A 5.4468 8.1836 127.9711 52.5543 20.3628 174.3840 141 Y 4.5459 8.5044 120.1215 57.3460 39.8001 175.0546 142 L 4.9653 8.8190 124.8722 53.3964 45.0317 175.0301 143 L 5.4737 7.8325 121.1749 52.2926 46.5765 175.4255 144 I 5.5415 8.1128 119.8493 60.0198 41.7452 174.1615 145 R 4.9086 8.3194 120.8602 55.5437 33.3822 175.3958 146 R 4.3171 8.5088 118.0281 56.9695 30.5836 176.2712 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 S 8.23 4.46 0.00 3.99 4.02 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 3 N 7.99 4.89 0.00 2.79 2.78 0.00 0.00 7.01 6.65 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 4 T 8.98 4.61 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 1.26 0.00 0.00 5 L 7.97 4.85 0.00 1.75 1.73 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.58 4.69 0.00 3.11 2.89 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 7 D 7.66 5.09 0.00 2.56 2.29 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 8 D 7.67 4.30 0.00 2.39 2.38 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 9 I 7.83 5.22 1.81 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 1.26 1.08 0.99 0.00 0.00 10 F 9.83 6.05 0.00 2.90 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 11 Q 8.46 5.71 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 12 V 8.58 3.94 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 1.07 0.00 0.00 0.98 0.00 0.00 13 S 9.34 4.24 0.00 3.89 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 14 E 7.78 4.75 0.00 2.02 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 2.20 2.22 0.00 15 V 8.57 4.54 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 0.85 0.00 0.00 0.95 0.00 0.00 16 D 8.88 4.86 0.00 2.83 2.48 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 17 P 0.00 5.21 0.00 2.11 2.06 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 18 G 7.96 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 19 R 7.93 3.94 0.00 1.83 2.08 0.00 3.08 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 20 Y 7.43 5.18 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.99 4.17 0.00 2.74 2.93 0.00 0.00 7.05 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 22 K 8.07 4.57 0.00 1.74 1.76 0.00 1.62 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.37 7.81 23 V 8.12 4.86 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 0.84 0.00 0.00 0.91 0.00 0.00 24 C 8.95 5.20 0.00 2.97 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 R 8.69 4.79 0.00 2.13 1.83 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 26 I 8.99 5.06 2.04 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 1.26 0.82 0.92 0.00 0.00 27 E 8.62 5.09 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 2.26 0.00 28 A 8.95 5.29 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 29 A 8.79 5.12 1.28 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 0.00 0.00 0.00 30 S 8.20 4.44 0.00 3.64 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 31 T 7.40 4.48 4.16 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 1.17 0.00 0.00 32 T 7.42 4.26 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 1.11 0.00 0.00 33 Q 9.06 4.15 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.14 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 34 D 8.68 4.93 0.00 2.68 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 35 Q 7.73 4.38 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 36 C 8.14 5.26 0.00 3.18 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 37 K 8.53 4.75 0.00 1.74 1.71 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.66 7.81 38 L 8.70 5.01 0.00 1.45 1.23 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.76 4.77 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 1.23 0.00 0.00 40 L 9.26 5.08 0.00 1.58 1.35 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.84 5.08 0.00 2.73 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 42 I 8.79 4.55 1.99 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 0.91 0.84 1.37 0.00 0.00 43 N 9.82 4.47 0.00 2.79 2.65 0.00 0.00 6.51 7.25 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 44 V 7.83 3.85 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 0.78 0.00 0.00 1.09 0.00 0.00 45 E 8.31 4.50 0.00 1.90 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 2.16 2.29 0.00 46 L 8.48 4.46 0.00 1.45 1.61 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.45 4.91 0.00 2.74 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 48 P 0.00 4.31 0.00 1.93 1.90 0.00 3.61 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 49 V 7.85 4.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.78 0.00 0.00 50 A 7.83 4.74 1.15 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 51 A 8.50 3.81 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 52 Q 8.85 3.46 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 53 D 8.03 4.83 0.00 2.58 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 54 S 8.52 4.84 0.00 3.90 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 55 L 8.81 4.71 0.00 1.81 1.75 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.55 5.08 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 1.39 0.00 0.00 57 V 8.74 4.77 2.48 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 1.23 0.00 0.00 0.67 0.00 0.00 58 T 8.14 5.61 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 1.33 0.00 0.00 59 I 8.62 5.09 1.96 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.60 0.97 0.00 0.00 60 A 9.45 4.00 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 61 S 9.48 4.97 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 62 S 6.99 5.24 0.00 4.03 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 0.00 63 L 6.64 4.00 0.00 1.36 1.57 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.68 4.47 0.00 2.64 2.78 0.00 0.00 7.27 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.66 3.60 0.00 1.80 1.82 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.53 4.12 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 1.31 0.00 0.00 77 R 7.97 3.76 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 S 8.64 4.25 0.00 4.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.78 4.68 0.00 3.32 3.22 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 0.00 0.00 0.00 0.00 80 R 7.89 4.19 0.00 1.59 1.58 0.00 3.20 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 81 P 0.00 4.27 0.00 1.85 1.31 0.00 3.39 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 82 P 0.00 4.23 0.00 2.15 1.61 0.00 3.77 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 1.92 1.95 0.00 83 Q 9.72 3.92 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.17 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 84 A 7.68 4.30 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 85 G 8.43 3.71 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 0.00 0.00 0.00 86 D 7.94 4.75 0.00 2.58 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 87 R 7.65 4.52 0.00 1.82 1.85 0.00 3.21 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 88 S 8.23 4.28 0.00 4.01 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 89 L 7.80 4.51 0.00 1.70 1.93 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.18 4.48 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 91 D 8.34 5.05 0.00 2.90 2.95 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 92 D 8.48 4.85 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.59 4.87 0.00 2.77 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 9.18 5.01 0.00 2.51 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 95 Y 7.58 4.53 0.00 2.01 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 0.00 0.00 0.00 96 V 8.58 5.15 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 0.84 0.00 0.00 0.96 0.00 0.00 97 M 8.20 4.72 0.00 1.54 0.94 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.70 0.00 98 Y 8.36 5.14 0.00 2.30 2.61 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 99 G 8.75 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 0.00 100 T 9.05 5.08 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 1.13 0.00 0.00 101 A 8.16 4.44 0.05 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 0.00 0.00 102 Y 8.22 4.45 0.00 3.06 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 0.00 103 K 7.15 4.72 0.00 1.74 1.50 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.47 7.81 104 F 8.73 5.12 0.00 2.80 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 0.00 105 E 8.97 4.17 0.00 2.27 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 2.36 0.00 106 E 8.59 5.01 0.00 1.89 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 2.24 2.30 0.00 107 V 8.10 3.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 108 S 8.25 3.56 0.00 4.17 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 0.00 109 K 8.11 3.55 0.00 1.88 1.45 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 110 D 8.58 4.93 0.00 2.77 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 0.00 111 L 8.02 5.20 0.00 1.98 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.32 4.95 1.85 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 1.31 0.96 0.97 0.00 0.00 113 A 8.67 5.22 1.03 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 0.00 114 V 7.88 4.42 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 -0.40 0.00 0.00 0.72 0.00 0.00 115 Y 8.21 4.90 0.00 1.80 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 0.00 0.00 0.00 116 Y 8.97 4.62 0.00 2.76 2.40 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 0.00 117 S 9.06 4.75 0.00 3.71 3.42 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 0.00 118 F 9.82 4.62 0.00 3.02 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 0.00 119 G 8.99 3.71 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 0.00 0.00 0.00 120 G 7.20 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 0.00 0.00 0.00 121 L 8.07 4.70 0.00 1.90 1.77 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.39 5.19 0.00 1.81 1.81 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.86 5.25 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 124 R 9.34 4.73 0.00 1.64 1.52 0.00 2.92 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.00 125 L 8.29 5.11 0.00 1.47 1.12 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.82 4.78 0.00 1.89 1.67 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 2.14 2.14 0.00 127 G 7.78 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 0.00 128 N 8.02 4.89 0.00 2.77 2.84 0.00 0.00 6.71 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 0.00 129 Y 6.90 4.78 0.00 3.15 3.10 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 0.00 130 R 7.36 4.72 0.00 1.94 2.10 0.00 2.91 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 131 N 8.50 4.39 0.00 2.77 2.94 0.00 0.00 7.01 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.97 4.77 0.00 1.66 1.69 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.10 4.74 0.00 2.81 3.13 0.00 0.00 7.02 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.84 4.59 0.00 2.75 2.91 0.00 0.00 7.37 7.76 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 0.00 135 L 8.33 4.39 0.00 1.81 1.73 0.99 0.95 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 0.00 136 K 8.32 4.71 0.00 1.55 1.42 0.00 1.51 0.00 0.00 1.19 0.00 0.00 2.54 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.44 1.22 7.81 137 Q 7.89 4.30 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 138 E 8.82 4.01 0.00 2.01 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 2.50 2.27 0.00 139 N 7.65 4.33 0.00 2.89 2.93 0.00 0.00 6.73 7.35 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 0.00 140 A 8.18 5.45 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 0.00 0.00 0.00 0.00 0.00 141 Y 8.50 4.55 0.00 2.83 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 0.00 142 L 8.82 4.97 0.00 1.64 1.00 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.83 5.47 0.00 0.89 0.48 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.11 5.54 1.46 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.14 0.88 0.00 0.00 145 R 8.32 4.91 0.00 1.81 2.02 0.00 2.85 0.00 0.00 2.74 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 146 R 8.51 4.32 0.00 2.24 2.08 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.