NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1567 8.0129 117.9149 60.9457 34.0552 177.7303 2 S 4.1126 8.1585 114.4482 59.1376 62.1906 174.6294 3 D 4.7488 7.1892 118.5580 54.0049 41.5318 175.2186 4 R 3.7111 7.4872 118.9741 54.2386 31.6634 172.5840 5 P 4.1238 0.0000 0.0000 62.0292 32.3218 176.7642 6 A 4.2724 8.0647 122.7926 50.3680 17.5319 175.7970 7 G 4.1451 7.2432 108.9547 46.0402 0.0000 171.4210 8 R 4.3407 8.0078 119.3902 54.1736 32.3388 172.9470 *10 P 4.9827 0.0000 0.0000 62.1678 33.9731 176.7867 11 L 3.7286 8.3119 122.3307 58.5588 41.9810 179.6257 12 T 3.7872 7.7839 109.1502 64.6527 68.5255 176.5458 13 V 3.4406 7.5198 120.6595 65.9808 31.6887 177.3190 14 H 4.0848 8.2291 116.0589 59.0410 28.5795 177.6355 15 R 3.5417 7.8361 120.1300 59.3146 29.8733 178.2937 16 N 3.6544 7.6515 116.2184 55.9931 38.3192 177.6071 17 V 3.4836 7.4672 119.8213 65.6738 31.6079 178.0731 18 G 3.3886 7.9587 105.9176 47.7846 0.0000 175.4691 19 R 3.7706 7.5952 121.1592 58.8305 30.0110 178.6406 20 W 4.4267 7.7853 118.6422 59.8827 28.9943 178.4853 21 L 4.0714 8.4279 119.2873 58.0297 41.0504 179.8570 22 S 4.1000 8.2775 115.1288 61.4024 62.6791 176.3346 23 E 3.9595 8.4374 122.1012 59.3080 29.2018 178.8049 24 I 3.7030 7.7622 118.6579 64.3745 37.5829 177.7834 25 L 4.1016 8.1764 121.2067 58.5783 41.7325 178.3957 26 H 4.0825 8.5296 116.9701 59.0809 29.8208 176.3468 27 A 4.4170 7.7800 120.4224 53.0727 18.9767 177.9120 28 S 4.6019 7.7484 109.7543 57.7291 64.3842 175.7163 29 I 3.9369 7.9104 121.3476 63.5181 37.7637 176.3988 30 R 4.3690 8.0560 117.4744 56.8450 30.5908 177.2846 31 D 4.7267 8.1418 120.8129 52.9223 39.9224 176.7269 32 T 4.2010 7.5933 117.1476 63.7352 67.9141 176.6662 33 G 3.6058 8.0428 108.5795 47.3106 0.0000 175.8655 34 V 3.6311 7.6538 120.2419 65.9447 31.7257 178.2357 35 S 4.1989 8.3379 114.5654 61.3915 62.8940 176.5011 36 S 4.1763 8.2091 117.9766 61.2349 62.7240 176.8160 37 R 3.9820 7.5365 118.8357 59.1240 29.7724 179.0553 38 I 3.7563 7.9411 119.6692 64.3287 37.0007 178.0863 39 E 3.9364 8.5921 120.5690 59.1637 29.4514 178.5902 40 F 4.1522 8.2357 120.6072 61.3168 39.4098 177.3601 41 V 3.1276 7.8296 117.8270 65.6925 31.3467 177.9101 42 R 3.5372 8.1019 118.7975 59.5203 29.8017 178.7295 43 R 4.0248 8.0529 117.9972 59.3831 29.9829 179.2690 44 T 3.2392 7.2419 115.4273 66.4669 68.2787 176.8486 45 L 3.5143 7.1227 120.7080 57.6011 41.1986 179.0672 46 H 4.2141 7.5470 117.8095 59.0844 30.1696 177.3327 47 G 3.7785 7.8140 107.3684 47.5895 0.0000 175.8448 48 W 4.5475 8.0968 121.9611 59.5423 28.9723 179.0419 49 V 3.9128 8.3737 119.3081 64.9144 30.4539 178.3696 50 R 3.5682 7.6444 117.3026 58.9021 29.8722 177.7050 51 E 4.2434 8.0733 117.1613 58.2621 29.8538 178.1892 52 E 3.9867 8.1722 117.4626 57.3529 30.2429 176.3970 53 Y 4.6366 7.2923 116.7356 55.2682 41.2484 175.5855 54 S 4.6190 8.8639 119.1856 57.9716 65.2527 175.4464 55 E 4.2286 8.8816 122.7136 58.7084 28.8877 179.5237 56 T 4.0337 7.7881 109.1011 64.5207 69.3224 176.3733 57 E 4.3976 8.1229 120.7385 57.6272 30.2533 176.7289 58 L 4.5992 8.3022 120.9290 51.2953 42.9045 173.4320 59 P 4.7100 0.0000 0.0000 61.0829 33.5254 175.8368 60 N 4.3517 8.9155 118.6196 57.2931 38.5366 177.0007 61 A 4.0387 7.9947 119.9797 55.1286 18.5396 179.3948 62 V 3.6625 7.7527 116.2033 66.2017 31.7998 177.0555 63 Y 4.3973 8.4252 119.8126 61.3329 37.7886 178.4684 64 R 3.7047 8.0487 118.4627 59.3773 29.9676 178.3380 65 N 4.5975 7.7060 113.9743 54.5033 38.7650 176.3965 66 L 3.9216 7.6253 122.3541 57.8707 42.2139 177.3042 67 Y 4.2264 7.8374 112.3992 57.9243 39.7401 175.8063 68 F 4.8265 7.3947 114.3191 55.0585 39.3092 171.8727 69 P 4.6910 0.0000 0.0000 61.0046 34.2228 175.7833 *79 G 3.7720 8.2763 105.8800 46.0081 0.0000 173.0636 80 S 4.2181 8.6145 113.8766 58.2971 63.8452 175.2091 81 G 3.8893 8.2652 109.0482 45.8388 0.0000 172.5947 82 K 4.8024 7.6727 118.7357 54.1040 35.1927 175.9859 83 I 4.1040 9.1464 127.1951 61.0966 36.8212 175.6078 84 E 4.7297 9.6020 123.5753 55.0431 31.8427 176.1900 85 T 4.7640 7.5986 109.2854 59.0800 73.3151 174.5962 86 I 3.6752 8.2506 122.9544 64.5666 37.1392 178.3708 87 S 4.0960 8.1413 113.4730 61.7439 62.0482 176.1393 88 E 3.9759 8.2009 120.9618 59.5184 29.1325 179.0205 89 C 4.0960 8.0743 116.8185 62.9285 28.1885 176.0286 90 D 4.2870 8.1965 120.2848 57.2733 40.4792 178.6123 91 R 3.8372 8.0463 119.1775 59.6856 30.0360 178.5865 92 L 4.0137 8.1343 118.7741 57.5036 41.5307 179.4112 93 K 3.9022 8.2463 119.8545 59.5086 32.0951 178.4339 94 N 4.2148 8.1580 117.3594 56.5082 38.8596 176.9084 95 L 3.5684 7.8964 120.4656 57.5553 41.6198 179.4784 96 V 3.5789 8.0452 118.6003 66.0951 31.3389 177.9805 97 R 3.8284 8.0290 118.2995 59.4524 29.9214 178.1198 98 N 3.9378 7.9222 116.2641 56.1068 38.2608 177.5713 99 V 3.8825 7.7147 119.3851 66.3909 31.8133 178.1430 100 T 3.9198 8.2075 115.7518 66.9153 68.2152 176.2250 101 D 4.4301 8.3424 120.9278 57.8407 40.6269 179.2686 102 T 3.9911 8.0476 115.9689 66.5445 68.4441 176.7502 103 L 4.1414 8.2684 121.0565 58.2256 41.5317 180.1726 104 V 3.8041 7.6674 110.4353 64.0855 31.5467 178.0549 105 E 4.2043 7.9518 117.1899 58.1205 29.3640 177.2298 106 N 4.7501 7.5454 114.0478 53.2624 41.2295 174.2737 107 Y 4.9290 8.0294 115.3707 55.1473 40.1024 173.9895 108 P 4.5814 0.0000 0.0000 62.1048 32.3572 176.0054 109 Q 4.0776 8.6555 118.5574 55.7166 29.2572 176.2969 110 G 3.9786 8.0665 109.8051 44.2133 0.0000 173.7234 111 L 4.0554 7.9227 118.4447 57.6561 41.1089 179.7236 112 E 4.0880 8.0488 117.6872 59.6540 29.8754 179.1651 113 S 4.5232 8.0203 113.5125 61.1419 63.2603 175.7250 114 E 3.9945 8.4913 123.1385 58.9826 29.3160 178.3741 115 A 4.1115 8.0836 120.6932 55.4011 18.4538 179.6494 116 L 4.1092 8.0506 116.7609 58.0732 41.7722 179.6522 117 L 4.1033 8.1256 118.9821 57.6423 41.4300 179.6498 118 I 3.6950 8.2667 120.0144 64.4079 37.1312 178.1677 119 A 3.9953 8.0911 121.5444 55.4172 18.3157 179.7352 120 L 4.0556 8.2397 117.3826 57.7449 41.5903 179.1662 121 D 4.4539 8.4007 118.4958 57.2389 41.0798 178.4738 122 G 3.6053 8.4367 106.6076 47.6722 0.0000 175.6912 123 V 3.6042 7.8907 120.4744 65.9351 31.5356 178.2929 124 K 4.0350 7.9704 117.7154 59.4276 31.9526 179.2328 125 L 4.0052 8.2335 119.5259 57.9334 41.5582 179.5442 126 E 4.0032 8.4178 118.6562 59.3086 29.3502 179.1862 127 L 3.9911 8.4938 119.2321 57.8047 41.6676 179.5148 128 A 3.9771 8.1532 120.5963 55.1985 18.3744 179.6879 129 R 3.8760 7.8734 116.7595 59.5740 30.0915 178.8985 130 I 3.7628 7.8865 119.6981 64.2253 37.0548 178.1909 131 R 3.8894 8.3174 119.9800 59.5580 29.6510 178.7055 132 K 3.9613 7.8786 116.9725 59.4016 32.0958 178.4314 133 D 4.7092 8.0321 117.3959 57.5065 41.4620 178.1626 134 I 3.9608 7.9997 120.2719 64.3975 36.9096 178.1361 135 E 3.9438 7.9802 114.2121 57.9331 29.0088 177.4381 *137 Y 4.5542 7.7284 115.8822 57.3468 39.8845 175.3396 138 G 3.9719 7.7743 109.2916 43.9679 0.0000 172.3223 139 D 4.4330 8.5140 119.8762 53.3144 41.1469 175.1696 140 P 4.3538 0.0000 0.0000 64.6755 31.7408 176.4699 141 R 4.1954 8.0132 120.0563 56.0874 29.5073 175.8013 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 V 8.01 4.16 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 0.71 0.00 0.00 0.93 0.00 0.00 2 S 8.16 4.11 0.00 3.70 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 3 D 7.19 4.75 0.00 2.72 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 4 R 7.49 3.71 0.00 0.67 1.21 0.00 2.87 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.25 0.00 5 P 0.00 4.12 0.00 1.83 1.76 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.07 0.00 6 A 8.06 4.27 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.24 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 8 R 8.01 4.34 0.00 1.72 1.68 0.00 3.14 0.00 0.00 3.12 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 *10 P 0.00 4.98 0.00 2.23 2.03 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 11 L 8.31 3.73 0.00 1.16 1.43 0.33 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.78 3.79 4.17 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 1.15 0.00 0.00 13 V 7.52 3.44 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 1.09 0.00 0.00 0.91 0.00 0.00 14 H 8.23 4.08 0.00 3.35 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.84 3.54 0.00 1.69 1.84 0.00 2.97 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 16 N 7.65 3.65 0.00 2.32 1.49 0.00 0.00 6.69 7.77 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 17 V 7.47 3.48 2.23 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 1.34 0.00 0.00 1.07 0.00 0.00 18 G 7.96 3.39 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 0.00 0.00 0.00 0.00 19 R 7.60 3.77 0.00 1.77 1.71 0.00 2.99 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 20 W 7.79 4.43 0.00 3.62 3.08 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 21 L 8.43 4.07 0.00 1.71 1.74 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.28 4.10 0.00 3.98 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 23 E 8.44 3.96 0.00 2.10 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 2.36 2.40 0.00 24 I 7.76 3.70 2.05 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 1.44 0.85 0.94 0.00 0.00 25 L 8.18 4.10 0.00 1.87 1.82 0.94 1.28 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 26 H 8.53 4.08 0.00 3.21 3.36 0.00 5.99 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.78 4.42 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 28 S 7.75 4.60 0.00 3.99 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 29 I 7.91 3.94 2.04 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 1.42 0.83 0.89 0.00 0.00 30 R 8.06 4.37 0.00 1.97 1.94 0.00 3.19 0.00 0.00 3.43 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 31 D 8.14 4.73 0.00 2.79 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 32 T 7.59 4.20 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 33 G 8.04 3.61 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 0.00 0.00 0.00 34 V 7.65 3.63 2.23 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 1.10 0.00 0.00 0.94 0.00 0.00 35 S 8.34 4.20 0.00 4.09 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.21 4.18 0.00 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.54 3.98 0.00 2.03 2.17 0.00 3.27 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 38 I 7.94 3.76 1.90 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 1.63 1.01 0.96 0.00 0.00 39 E 8.59 3.94 0.00 2.19 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 2.38 2.45 0.00 40 F 8.24 4.15 0.00 3.15 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 41 V 7.83 3.13 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 0.86 0.00 0.00 1.04 0.00 0.00 42 R 8.10 3.54 0.00 1.84 1.88 0.00 2.97 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.34 0.00 43 R 8.05 4.02 0.00 1.87 1.93 0.00 3.40 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 44 T 7.24 3.24 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 -0.32 0.00 0.00 45 L 7.12 3.51 0.00 0.64 1.08 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.55 4.21 0.00 3.15 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.81 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 48 W 8.10 4.55 0.00 3.39 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 49 V 8.37 3.91 2.20 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 1.38 0.00 0.00 0.97 0.00 0.00 50 R 7.64 3.57 0.00 1.26 2.06 0.00 2.21 0.00 0.00 2.82 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 51 E 8.07 4.24 0.00 2.11 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 2.35 2.64 0.00 52 E 8.17 3.99 0.00 2.22 1.76 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 2.36 2.68 0.00 53 Y 7.29 4.64 0.00 3.01 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 54 S 8.86 4.62 0.00 4.07 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 55 E 8.88 4.23 0.00 2.03 2.05 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 2.36 2.19 0.00 56 T 7.79 4.03 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 1.22 0.00 0.00 57 E 8.12 4.40 0.00 2.28 2.23 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 2.44 2.37 0.00 58 L 8.30 4.60 0.00 1.64 1.69 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.71 0.00 2.23 1.98 0.00 3.97 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 60 N 8.92 4.35 0.00 2.88 2.89 0.00 0.00 6.88 8.24 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 61 A 7.99 4.04 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 62 V 7.75 3.66 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 1.01 0.00 0.00 0.94 0.00 0.00 63 Y 8.43 4.40 0.00 3.04 3.25 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 0.00 0.00 0.00 0.00 64 R 8.05 3.70 0.00 1.92 1.95 0.00 3.24 0.00 0.00 3.55 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 65 N 7.71 4.60 0.00 2.78 2.84 0.00 0.00 6.98 7.62 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 66 L 7.63 3.92 0.00 1.61 1.80 0.71 0.70 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 67 Y 7.84 4.23 0.00 2.90 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.39 4.83 0.00 3.10 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 69 P 0.00 4.69 0.00 2.12 2.08 0.00 3.94 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 1.87 1.93 0.00 *79 G 8.28 3.77 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 0.00 80 S 8.61 4.22 0.00 3.99 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 81 G 8.27 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 0.00 0.00 0.00 82 K 7.67 4.80 0.00 1.61 1.62 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.52 7.81 83 I 9.15 4.10 1.88 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 1.30 0.86 0.92 0.00 0.00 84 E 9.60 4.73 0.00 1.87 1.90 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 2.23 2.34 0.00 85 T 7.60 4.76 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 1.22 0.00 0.00 86 I 8.25 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.91 0.00 0.00 87 S 8.14 4.10 0.00 3.88 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 88 E 8.20 3.98 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 2.34 2.35 0.00 89 C 8.07 4.10 0.00 3.17 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 D 8.20 4.29 0.00 2.87 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 91 R 8.05 3.84 0.00 1.91 2.05 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 92 L 8.13 4.01 0.00 1.93 1.70 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.25 3.90 0.00 1.91 1.97 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 94 N 8.16 4.21 0.00 2.82 2.84 0.00 0.00 7.25 6.71 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 95 L 7.90 3.57 0.00 1.83 1.66 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.05 3.58 2.20 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 1.09 0.00 0.00 0.96 0.00 0.00 97 R 8.03 3.83 0.00 1.94 1.97 0.00 3.11 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 1.68 1.63 0.00 98 N 7.92 3.94 0.00 1.77 1.42 0.00 0.00 6.67 7.19 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 99 V 7.71 3.88 2.31 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 1.26 0.00 0.00 1.32 0.00 0.00 100 T 8.21 3.92 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 1.25 0.00 0.00 101 D 8.34 4.43 0.00 2.73 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 0.00 102 T 8.05 3.99 4.63 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 1.32 0.00 0.00 103 L 8.27 4.14 0.00 1.99 1.99 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.67 3.80 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 0.83 0.00 0.00 1.05 0.00 0.00 105 E 7.95 4.20 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 106 N 7.55 4.75 0.00 2.48 2.28 0.00 0.00 6.82 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 0.00 107 Y 8.03 4.93 0.00 3.11 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 0.00 108 P 0.00 4.58 0.00 2.19 2.08 0.00 3.90 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 1.99 2.13 0.00 109 Q 8.66 4.08 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 110 G 8.07 3.98 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 0.00 0.00 0.00 111 L 7.92 4.06 0.00 1.73 1.78 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.05 4.09 0.00 1.75 1.85 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 2.15 2.43 0.00 113 S 8.02 4.52 0.00 4.21 4.17 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 0.00 114 E 8.49 3.99 0.00 2.27 2.05 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 2.36 2.38 0.00 115 A 8.08 4.11 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 0.00 116 L 8.05 4.11 0.00 1.96 1.77 0.67 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.13 4.10 0.00 1.78 1.77 1.00 1.00 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 0.00 118 I 8.27 3.69 2.05 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 1.48 0.89 0.90 0.00 0.00 119 A 8.09 4.00 1.51 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 0.00 120 L 8.24 4.06 0.00 1.77 1.77 1.04 0.88 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 0.00 121 D 8.40 4.45 0.00 2.88 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 0.00 122 G 8.44 3.61 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 0.00 0.00 0.00 123 V 7.89 3.60 2.27 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 0.93 0.00 0.00 1.03 0.00 0.00 124 K 7.97 4.03 0.00 2.09 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 125 L 8.23 4.01 0.00 1.87 1.72 0.92 1.20 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 0.00 126 E 8.42 4.00 0.00 2.13 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 2.43 2.49 0.00 127 L 8.49 3.99 0.00 1.77 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.15 3.98 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 0.00 129 R 7.87 3.88 0.00 1.93 2.10 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 130 I 7.89 3.76 2.01 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 1.42 0.54 0.95 0.00 0.00 131 R 8.32 3.89 0.00 1.97 2.09 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 132 K 7.88 3.96 0.00 1.97 1.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.45 7.81 133 D 8.03 4.71 0.00 2.74 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 0.00 134 I 8.00 3.96 2.01 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 1.54 0.84 0.92 0.00 0.00 135 E 7.98 3.94 0.00 1.90 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 2.33 2.52 0.00 *137 Y 7.73 4.55 0.00 3.20 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 0.00 138 G 7.77 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.51 4.43 0.00 2.66 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 0.00 140 P 0.00 4.35 0.00 2.20 2.15 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 141 R 8.01 4.20 0.00 1.95 1.93 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.