NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.0577 8.3393 109.7386 45.6979 0.0000 174.8043 0 S 4.4779 8.9078 118.0876 55.9089 61.7828 175.7821 2 A 3.4515 9.8879 115.2602 54.2175 19.2289 179.9007 3 E 3.9876 8.2639 114.6735 59.6479 29.5714 179.5230 4 S 4.2580 7.7984 112.7091 61.4418 63.3239 175.9768 5 E 4.3555 8.2180 121.7896 58.9785 29.1958 179.7701 6 L 4.3415 7.9968 118.0383 55.9297 41.9877 178.2458 *8 H 4.7478 8.1409 115.8810 55.5159 30.8687 175.7115 9 I 3.6845 8.1167 120.0440 64.7680 36.8620 177.9671 10 H 4.2225 8.5900 119.2195 59.3077 29.5928 177.4194 11 S 4.1343 8.0087 116.4503 61.5934 62.7539 176.4720 12 L 3.7952 7.9366 121.3210 57.6336 41.2267 179.4194 13 A 4.4026 8.4013 120.8473 55.3466 18.2815 179.4583 14 E 3.8800 8.4634 117.3711 60.1364 29.6045 179.5140 15 H 4.4758 8.3570 116.2796 58.8292 28.5547 177.3822 16 Y 4.0796 8.1978 121.5170 60.8218 38.6519 178.1015 17 L 3.9596 8.3923 120.0800 57.6818 41.1608 179.4324 18 Q 3.8486 8.5437 118.5038 59.1041 28.6990 178.3009 19 Y 3.9586 7.8943 120.4106 60.6360 38.5833 178.1788 20 V 3.3652 7.5268 118.3883 65.8596 31.7078 177.4568 21 L 4.0654 7.8217 116.3209 54.6757 41.9186 176.6538 22 Q 3.1812 7.2344 116.5214 56.8411 26.9083 173.6233 23 V 4.2791 6.9805 115.1646 59.9948 33.4658 173.5028 24 P 4.4016 0.0000 0.0000 62.5720 31.9850 175.2859 25 A 4.7697 8.1137 121.8680 50.1561 21.6708 175.6970 26 F 4.1558 8.8997 123.6151 59.1095 40.3247 176.2684 27 E 3.0066 7.7855 121.9156 57.5853 28.0527 175.2610 *29 A 4.0503 8.0514 124.9367 51.1647 18.5824 172.8274 30 P 4.1953 0.0000 0.0000 62.4358 32.0156 178.2688 31 S 4.4023 8.3537 118.8300 57.7488 65.2648 174.7352 32 Q 3.9679 8.5346 122.1834 59.0697 28.7840 177.7576 33 A 4.2643 8.1058 122.1959 55.3457 18.3099 179.3282 34 C 3.9735 7.9323 114.7054 63.0900 28.2893 176.6535 35 R 3.8210 7.7603 119.1892 59.3537 29.5658 179.5917 36 V 3.6586 8.0521 112.3101 63.9106 31.5137 178.4415 37 L 4.0054 8.2437 120.3964 58.0392 41.9345 178.4211 38 Q 4.0132 8.1997 119.8962 59.4278 28.9520 178.6004 39 R 3.8512 7.6364 118.6454 59.6192 30.1736 178.7065 40 V 3.5007 8.0074 117.8792 65.8586 31.4802 177.9238 41 A 3.9763 8.3680 121.0378 55.0812 18.0410 179.4227 42 F 4.6133 8.8234 120.8807 60.9021 39.4874 177.5943 43 S 4.1095 8.2169 113.7713 61.3446 62.7608 176.7029 44 V 3.5738 7.8423 121.9301 65.6697 31.1474 177.7301 45 Q 4.0755 8.6287 122.2134 59.8429 29.0363 179.1317 46 K 3.8516 7.9676 124.8784 59.6404 31.6791 180.4680 47 E 4.1382 8.1563 120.6292 59.0643 29.4797 179.1270 48 V 3.6260 8.2051 118.6833 66.2220 31.4630 177.9688 49 E 4.0848 8.4846 119.4833 59.3332 28.9664 179.8485 50 K 4.2444 7.8206 123.6255 59.4518 31.9650 183.2479 51 N 4.6214 8.5015 117.0588 55.6347 38.7602 176.3157 52 L 4.8545 8.2231 116.7312 54.5281 42.2062 178.1553 53 K 3.9010 7.8742 122.6251 59.9649 31.6451 178.7917 54 S 4.0640 7.9681 113.0274 61.4455 63.4608 175.7302 55 Y 3.9772 7.9004 119.8358 60.8609 37.9139 178.1057 56 L 4.3503 8.3325 120.0681 57.9523 41.5577 179.2152 57 D 4.4833 8.2698 117.8176 56.8556 40.7344 178.0418 58 D 4.4041 7.5199 118.8097 55.7520 41.2546 176.9872 59 F 4.6717 7.1243 117.4327 57.4603 39.5421 175.1230 60 H 4.7350 8.8056 121.6865 54.2661 29.3406 174.0659 61 V 3.9742 9.0595 130.8207 62.3422 29.6562 176.9457 62 E 4.5500 8.3280 114.6850 55.4623 30.7513 177.6748 63 S 4.7329 7.4491 112.4824 57.2595 67.3918 175.4065 64 I 3.8025 8.2974 123.3135 64.5131 36.8350 178.2991 65 D 4.3582 8.1277 119.3537 57.8008 40.6722 178.8872 66 T 3.8116 7.7795 115.3327 66.5161 68.3646 176.4969 67 A 3.9104 7.9069 122.5458 55.1523 18.3409 179.5497 68 R 2.6273 8.2298 117.5117 59.2783 29.9817 178.8887 69 I 3.6346 7.5972 119.4341 64.3032 37.1555 178.2963 70 I 3.5503 7.6778 120.6907 64.3380 36.7049 178.0367 71 F 4.2913 8.0556 119.9310 61.5373 39.2829 176.4206 72 N 4.3393 8.1517 114.7210 56.5676 38.8128 177.1793 73 Q 4.1478 8.1861 119.3581 58.7429 28.6970 179.3574 74 V 3.5623 7.4993 116.3599 63.3431 31.0045 177.1829 *76 E 4.2800 8.0933 118.9880 55.6658 31.4494 177.6372 77 K 3.8081 7.8690 119.2189 59.4348 32.4850 178.1869 78 E 3.6788 8.1814 118.4821 58.9356 29.6145 177.4042 79 F 4.5785 7.8021 114.8408 56.9658 39.3218 177.4002 80 E 4.0261 7.8027 120.5050 59.0967 29.2752 177.7746 81 D 4.3844 8.0026 116.8105 53.6122 39.8941 177.1160 82 G 3.9190 8.2814 108.3019 45.8055 0.0000 173.5113 83 I 4.2304 7.6024 120.1355 60.0725 38.2429 175.4450 84 I 4.3884 7.7178 123.9425 58.9761 40.5334 174.7925 85 N 4.1245 7.4788 120.2111 50.3975 41.3190 175.5687 86 W 4.7426 8.8084 119.8239 59.7884 29.0782 178.9899 87 G 3.9150 8.5691 105.5548 48.0122 0.0000 175.8240 88 R 4.0250 8.3059 120.9955 58.5209 30.4242 178.8231 89 I 4.1031 7.9798 119.6799 64.5002 37.1600 178.5583 90 V 4.0072 8.6195 119.5449 66.4539 31.2960 178.2237 91 T 4.0805 8.2557 109.2045 64.4515 68.4559 176.6530 92 I 3.9410 7.7792 122.7254 64.4466 37.2205 178.1208 93 F 4.2365 8.2760 117.8075 60.6583 38.7660 177.3425 94 A 4.2477 8.3168 120.2867 55.4420 18.2212 179.5241 95 F 4.4749 8.8484 119.3041 61.2014 39.4244 177.5998 96 G 3.8267 8.7022 105.8505 47.8362 0.0000 175.9020 97 G 4.0023 8.5148 109.5351 46.9178 0.0000 175.8208 98 V 3.7835 8.0644 120.7841 66.0397 31.4548 178.2458 99 L 3.8941 7.7716 118.5233 57.3473 41.3061 179.1104 100 L 3.9092 8.2788 120.8215 58.1637 42.1127 179.0502 101 K 3.9015 8.1329 118.2823 59.5791 31.9347 179.4288 102 K 3.9914 7.9720 118.3072 59.3477 31.7607 179.1781 103 L 4.3549 8.0786 120.8089 58.6351 41.6952 179.9141 104 K 4.1159 8.2041 124.6402 60.7224 31.6084 181.1535 105 Q 4.3950 7.8195 120.1390 59.4401 28.4648 179.2169 106 E 4.7618 8.9962 119.9281 55.5975 30.3876 175.5714 *113 S 4.2932 7.6380 112.9540 57.6095 62.9914 173.5892 114 A 3.9850 8.6451 130.7641 55.3197 18.1017 178.1300 115 Y 3.9595 8.0198 117.4505 60.7347 38.9097 178.0805 116 K 3.5240 8.2876 122.7768 60.2469 32.3382 179.4097 117 Q 3.9195 7.8943 120.8269 60.0315 28.0019 180.3278 118 V 2.0377 7.9252 120.9652 65.2629 31.5363 178.2533 119 S 3.8708 7.6574 114.0543 61.2979 62.4809 176.5865 120 S 3.8621 7.6888 116.7747 61.1769 62.2493 176.2029 121 F 4.4345 7.8194 117.2311 59.5171 37.6044 177.7557 122 V 3.3913 7.4306 118.9905 65.7740 31.1139 177.7992 123 A 4.0011 7.7049 119.0279 55.2035 18.3124 179.0558 124 E 4.0731 8.1642 115.9792 59.5629 29.8906 179.0833 125 F 4.1602 8.3543 120.5257 61.2879 39.4422 177.6738 126 I 3.5615 7.8585 115.2640 62.6215 36.3870 177.4411 *128 N 4.5594 8.0684 119.2169 52.7273 40.2412 175.0307 129 N 4.5204 7.6361 113.4461 53.4563 39.9550 175.4710 130 T 4.5605 7.9959 105.2332 59.8370 70.8672 175.9366 131 G 3.6654 8.2115 110.0633 48.2153 0.0000 175.3145 132 E 3.9559 8.1038 121.4783 58.5140 29.6856 178.3712 133 W 4.1027 8.1377 128.0105 60.4830 30.7810 177.7041 134 I 3.4266 8.3566 122.5350 64.9952 36.3168 179.1194 135 R 3.9269 7.6007 119.9664 61.6909 29.3483 180.3858 136 Q 4.2858 7.8906 116.7505 57.0065 28.7485 176.5284 137 N 4.5337 7.5432 118.1303 52.6242 39.2947 176.1055 138 G 3.8600 8.1256 106.0813 44.3637 0.0000 175.9303 139 G 4.2357 8.0226 109.8358 44.5398 0.0000 174.4083 140 W 4.3129 8.6959 116.9294 59.6976 29.2617 177.8542 141 E 4.6352 8.3148 114.2381 56.3338 28.7374 175.6275 142 D 4.6388 7.2611 116.9095 54.6911 44.3006 177.4464 143 G 3.8114 8.7138 106.0436 47.2270 0.0000 174.9700 144 F 2.6654 7.8053 123.6122 60.4732 38.8971 177.3120 145 I 3.4526 7.3213 111.2557 63.8301 37.0914 178.2932 146 K 3.9679 7.7565 119.5619 58.8553 31.8649 178.8846 147 K 3.8461 7.5594 119.3919 58.6242 32.0369 178.0088 148 F 4.7848 6.9190 114.7543 56.0614 39.6398 175.1264 149 E 4.5282 7.2466 119.2645 54.5610 32.5877 174.9270 *150 P 4.2215 0.0000 0.0000 62.3739 31.5240 174.8947 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 G 8.34 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.91 4.48 0.00 4.02 3.48 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 2 A 9.89 3.45 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 3 E 8.26 3.99 0.00 2.12 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 2.35 2.33 0.00 4 S 7.80 4.26 0.00 4.13 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 5 E 8.22 4.36 0.00 2.25 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 0.00 2.53 2.46 0.00 6 L 8.00 4.34 0.00 1.78 1.78 0.94 0.96 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 *8 H 8.14 4.75 0.00 3.63 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.12 3.68 2.14 0.00 0.00 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 1.95 1.20 1.09 0.00 0.00 10 H 8.59 4.22 0.00 3.27 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.01 4.13 0.00 4.05 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 12 L 7.94 3.80 0.00 1.61 1.19 -0.77 0.24 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 13 A 8.40 4.40 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.46 3.88 0.00 1.98 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 1.98 2.17 0.00 15 H 8.36 4.48 0.00 3.16 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.20 4.08 0.00 3.01 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 17 L 8.39 3.96 0.00 1.96 1.86 0.82 1.28 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 18 Q 8.54 3.85 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.12 2.64 0.00 19 Y 7.89 3.96 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.53 3.37 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 0.93 0.00 0.00 0.70 0.00 0.00 21 L 7.82 4.07 0.00 1.66 1.59 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.23 3.18 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.59 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 23 V 6.98 4.28 1.94 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 0.72 0.00 0.00 0.90 0.00 0.00 24 P 0.00 4.40 0.00 2.21 2.01 0.00 3.71 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 1.97 1.94 0.00 25 A 8.11 4.77 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 26 F 8.90 4.16 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.79 3.01 0.00 2.21 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 2.02 1.56 0.00 *29 A 8.05 4.05 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 30 P 0.00 4.20 0.00 2.12 2.02 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 31 S 8.35 4.40 0.00 4.08 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 32 Q 8.53 3.97 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 33 A 8.11 4.26 1.64 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 34 C 7.93 3.97 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.76 3.82 0.00 1.97 1.93 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 36 V 8.05 3.66 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.59 0.00 0.00 37 L 8.24 4.01 0.00 1.81 1.70 0.48 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.20 4.01 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 39 R 7.64 3.85 0.00 1.89 2.02 0.00 3.14 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 40 V 8.01 3.50 1.69 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 0.40 0.00 0.00 0.63 0.00 0.00 41 A 8.37 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.82 4.61 0.00 3.73 3.36 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 43 S 8.22 4.11 0.00 4.16 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 44 V 7.84 3.57 2.26 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 1.11 0.00 0.00 1.00 0.00 0.00 45 Q 8.63 4.08 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 46 K 7.97 3.85 0.00 1.79 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 47 E 8.16 4.14 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 48 V 8.21 3.63 2.32 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 1.25 0.00 0.00 1.07 0.00 0.00 49 E 8.48 4.08 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 2.39 2.46 0.00 50 K 7.82 4.24 0.00 1.80 1.80 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.34 7.81 51 N 8.50 4.62 0.00 2.76 2.95 0.00 0.00 7.07 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 52 L 8.22 4.85 0.00 1.99 1.81 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.87 3.90 0.00 2.15 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.49 7.81 54 S 7.97 4.06 0.00 3.88 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 55 Y 7.90 3.98 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.33 4.35 0.00 1.80 1.87 1.10 1.29 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 57 D 8.27 4.48 0.00 2.66 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 58 D 7.52 4.40 0.00 2.52 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 59 F 7.12 4.67 0.00 3.29 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 60 H 8.81 4.74 0.00 3.16 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 9.06 3.97 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 0.95 0.00 0.00 0.94 0.00 0.00 62 E 8.33 4.55 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.82 0.00 63 S 7.45 4.73 0.00 3.84 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 64 I 8.30 3.80 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.56 1.04 0.00 0.00 65 D 8.13 4.36 0.00 2.68 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 66 T 7.78 3.81 4.37 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 1.20 0.00 0.00 67 A 7.91 3.91 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 0.00 0.00 68 R 8.23 2.63 0.00 1.74 1.91 0.00 3.01 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 1.30 1.07 0.00 69 I 7.60 3.63 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 0.89 0.00 0.00 70 I 7.68 3.55 1.81 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.82 0.60 0.00 0.00 71 F 8.06 4.29 0.00 3.04 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 72 N 8.15 4.34 0.00 2.83 2.86 0.00 0.00 7.16 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 73 Q 8.19 4.15 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 74 V 7.50 3.56 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 0.36 0.00 0.00 0.92 0.00 0.00 *76 E 8.09 4.28 0.00 2.17 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 2.28 2.34 0.00 77 K 7.87 3.81 0.00 1.86 1.82 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.31 7.81 78 E 8.18 3.68 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.92 0.00 79 F 7.80 4.58 0.00 3.35 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 80 E 7.80 4.03 0.00 2.07 2.28 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 2.42 2.23 0.00 81 D 8.00 4.38 0.00 2.75 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 82 G 8.28 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 0.00 0.00 0.00 83 I 7.60 4.23 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.82 0.00 0.00 84 I 7.72 4.39 0.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 -0.22 0.00 0.00 85 N 7.48 4.12 0.00 2.94 2.78 0.00 0.00 6.25 8.88 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 86 W 8.81 4.74 0.00 3.58 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 87 G 8.57 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 88 R 8.31 4.02 0.00 1.90 1.85 0.00 2.88 0.00 0.00 2.43 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 89 I 7.98 4.10 2.49 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 1.50 0.00 0.00 90 V 8.62 4.01 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 1.08 0.00 0.00 1.22 0.00 0.00 91 T 8.26 4.08 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 1.28 0.00 0.00 92 I 7.78 3.94 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.29 1.09 0.00 0.00 93 F 8.28 4.24 0.00 3.16 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 94 A 8.32 4.25 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.85 4.47 0.00 3.28 3.27 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 96 G 8.70 3.83 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 0.00 0.00 0.00 97 G 8.51 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 98 V 8.06 3.78 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 1.02 0.00 0.00 1.14 0.00 0.00 99 L 7.77 3.89 0.00 1.79 1.64 0.91 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.28 3.91 0.00 1.87 1.77 0.98 0.57 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 0.00 101 K 8.13 3.90 0.00 2.05 1.87 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.74 7.81 102 K 7.97 3.99 0.00 1.98 2.06 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.72 7.81 103 L 8.08 4.35 0.00 1.87 1.76 0.95 0.99 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 0.00 104 K 8.20 4.12 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.35 7.81 105 Q 7.82 4.39 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 106 E 9.00 4.76 0.00 2.15 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 2.28 2.31 0.00 *113 S 7.64 4.29 0.00 3.93 3.85 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 0.00 114 A 8.65 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.02 3.96 0.00 3.02 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 0.00 116 K 8.29 3.52 0.00 1.87 1.93 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 117 Q 7.89 3.92 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 118 V 7.93 2.04 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 0.60 0.00 0.00 0.75 0.00 0.00 119 S 7.66 3.87 0.00 3.85 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 0.00 120 S 7.69 3.86 0.00 3.81 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 0.00 121 F 7.82 4.43 0.00 3.06 3.21 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 0.00 122 V 7.43 3.39 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 0.87 0.00 0.00 0.48 0.00 0.00 123 A 7.70 4.00 1.37 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 0.00 0.00 124 E 8.16 4.07 0.00 2.04 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 2.46 0.00 125 F 8.35 4.16 0.00 3.56 3.50 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 0.00 126 I 7.86 3.56 2.04 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 1.13 0.00 0.00 *128 N 8.07 4.56 0.00 2.58 2.78 0.00 0.00 6.98 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 0.00 129 N 7.64 4.52 0.00 1.76 2.14 0.00 0.00 6.76 7.34 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 0.00 130 T 8.00 4.56 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 131 G 8.21 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 0.00 0.00 0.00 132 E 8.10 3.96 0.00 2.09 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 2.37 2.40 0.00 133 W 8.14 4.10 0.00 3.32 3.15 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 0.00 134 I 8.36 3.43 1.98 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 1.05 0.83 0.49 0.00 0.00 135 R 7.60 3.93 0.00 1.93 1.86 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 136 Q 7.89 4.29 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 137 N 7.54 4.53 0.00 1.44 1.98 0.00 0.00 6.96 9.11 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 0.00 138 G 8.13 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 0.00 0.00 0.00 139 G 8.02 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 0.00 0.00 0.00 0.00 140 W 8.70 4.31 0.00 3.48 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 0.00 141 E 8.31 4.64 0.00 2.03 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 0.00 2.39 2.29 0.00 142 D 7.26 4.64 0.00 2.64 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 0.00 143 G 8.71 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.81 2.67 0.00 1.82 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 0.00 145 I 7.32 3.45 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.61 1.09 0.00 0.00 146 K 7.76 3.97 0.00 1.87 1.84 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.56 7.81 147 K 7.56 3.85 0.00 1.45 1.20 0.00 1.43 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.88 0.21 7.81 148 F 6.92 4.78 0.00 2.63 2.82 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 0.00 0.00 0.00 149 E 7.25 4.53 0.00 1.96 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 2.19 2.27 0.00 *150 P 0.00 4.22 0.00 1.82 1.85 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.