NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4179 8.3049 120.3466 55.3230 33.4495 174.2699 2 K 3.9302 7.4446 117.1209 55.7724 35.2716 173.0181 3 T 3.6198 8.8107 118.9656 61.7072 72.6678 173.1048 4 Y 4.5487 7.9892 116.8073 57.6307 40.0932 175.6001 5 V 3.5727 7.8457 119.6132 60.2482 30.1767 173.7963 6 P 4.5288 0.0000 0.0000 62.2659 32.5631 179.0219 7 K 4.3027 8.2231 120.4749 56.4533 32.5279 176.0430 8 Q 4.2303 8.6189 122.2053 56.3158 29.2463 175.5045 9 V 4.2286 8.1346 122.5076 60.9702 33.6212 174.6465 10 E 4.3504 8.4918 125.2951 53.8804 29.4011 174.2078 11 P 4.3249 0.0000 0.0000 63.6198 31.7923 175.7788 12 R 4.6909 8.4379 120.5744 55.3008 32.5233 174.5532 13 W 5.4039 8.6919 121.1409 54.8048 32.5660 174.9412 14 V 4.6752 9.1123 124.6357 60.9766 34.0477 173.7791 15 L 4.7767 8.5310 129.5591 53.4597 44.0845 175.0181 16 I 4.4196 8.2681 126.5530 59.4901 40.8679 173.1292 17 D 5.3414 9.0561 129.7155 51.8344 42.2759 175.4842 18 A 4.6592 8.6872 129.9853 50.5420 20.2652 174.8231 19 E 4.4857 8.4909 119.7937 57.4320 31.0596 177.1367 20 G 4.2269 7.9355 105.7674 45.7440 0.0000 173.1319 21 K 4.7901 7.9206 120.4882 54.0798 35.5958 175.1120 22 T 4.2336 8.3306 122.3702 63.4423 69.3174 173.5606 23 L 4.0672 8.1435 130.0785 56.5619 42.4727 175.5379 24 G 4.3641 9.2869 117.0401 46.5094 0.0000 175.6766 25 R 4.2290 7.7096 115.7843 56.6610 31.0683 177.6030 26 L 4.3108 7.9263 119.2099 57.1627 42.6196 177.4473 27 A 3.9359 8.2834 119.9546 56.0815 17.6238 179.4507 28 T 3.7501 7.7736 110.4385 65.2192 67.6355 176.0004 29 K 3.9584 7.8816 119.8139 59.5191 32.3631 178.9544 30 I 3.6235 7.9093 119.7438 64.5793 37.1899 178.1542 31 A 3.9369 8.3795 121.5850 55.7473 18.0412 179.9676 32 T 3.7862 7.2177 111.7426 66.5581 68.3023 176.7746 33 L 3.9400 7.9916 121.1293 57.9093 41.4932 178.6634 34 L 3.9055 7.7717 119.2412 56.9014 41.8067 177.1386 35 R 4.4719 7.9900 117.6788 56.0971 30.9113 178.4143 36 G 4.3254 9.9624 110.1684 47.7529 0.0000 176.5984 37 K 3.8471 7.9252 121.5996 59.1274 32.9448 176.6836 38 H 4.3581 8.1286 112.4223 56.9905 29.2349 175.0194 39 R 4.5887 8.7690 118.9082 53.7950 30.8367 175.7998 40 P 4.1993 0.0000 0.0000 65.8945 31.7794 176.9310 41 D 4.1986 8.1786 118.4893 57.2949 40.7616 178.0236 42 W 3.6017 7.6456 126.8997 59.0120 28.2567 172.7870 43 T 4.0524 7.0093 123.8947 60.4478 69.0321 173.9353 44 P 3.8128 0.0000 0.0000 63.7510 31.2040 176.5147 45 N 4.9598 7.5188 117.3644 52.0547 37.2809 175.1232 46 V 4.0576 8.0888 116.6304 65.6935 33.4576 175.1964 47 A 3.8494 7.8511 122.7908 51.3048 18.9074 178.2689 48 M 4.4736 8.0102 119.8063 55.6270 29.5976 175.0082 49 G 5.0324 7.6690 110.3675 44.2509 0.0000 171.2755 50 D 5.0151 8.0086 119.6152 53.8537 42.6896 175.0047 51 F 4.1141 8.5003 117.3674 56.0089 42.0292 174.7894 52 V 4.2601 7.9623 124.0838 60.8606 32.6690 176.4746 53 V 4.5478 8.4239 133.5123 61.7883 30.0284 175.8680 54 V 4.4477 7.8094 120.1951 62.5964 32.9633 175.5270 55 V 4.5087 8.0124 124.6302 60.1633 35.4516 173.2866 56 N 4.4245 8.9373 117.5954 54.5762 36.7193 174.8688 57 A 4.2327 8.5391 124.8007 52.4568 20.0909 177.3270 58 D 3.9132 9.7265 111.2783 55.8790 40.1248 174.0009 59 K 4.2185 8.5220 118.2869 56.4809 30.7405 177.3193 60 I 3.6451 7.5595 118.0874 61.3590 37.2772 176.5384 61 R 4.2521 8.9385 126.5697 56.9005 31.2652 175.9903 62 V 4.5531 8.1483 119.9046 60.9379 35.4637 173.9772 63 T 4.5079 8.0355 115.4335 64.9311 72.8299 176.2182 64 G 3.6662 7.9298 110.8951 46.7552 0.0000 175.5383 65 K 4.6672 8.4812 126.1078 55.3799 33.5998 178.0418 66 K 3.7566 8.1155 120.8561 59.8984 32.5693 177.9062 67 L 4.4932 7.6599 117.9430 51.8184 39.9008 176.6510 68 E 5.9800 6.8487 130.4477 57.3009 30.4782 178.4514 69 Q 4.3931 7.6821 114.8207 55.0381 31.1016 175.2423 70 K 4.0492 8.4789 120.9657 55.9118 32.8825 175.6729 71 I 4.7276 7.9601 129.1950 59.7678 38.7296 175.3995 72 Y 4.5236 8.6751 125.4623 57.8577 39.3980 174.9748 73 T 5.9194 8.4530 117.1504 61.0273 72.6280 173.6165 74 R 4.6826 8.5118 121.7767 54.7250 34.6509 173.5385 75 Y 5.8698 8.9796 124.7385 54.2980 40.1447 176.2642 76 S 4.0625 8.5037 127.8550 62.7762 61.8500 175.8356 77 G 3.5269 5.7011 101.5308 47.2765 0.0000 173.4573 78 Y 4.6161 7.9139 121.6517 54.5670 40.8446 173.6210 79 P 4.6326 0.0000 0.0000 63.9910 32.0364 177.3334 80 G 4.0040 9.2244 109.8096 46.0167 0.0000 175.6466 81 G 4.0893 8.2965 106.4155 45.1240 0.0000 173.2098 82 L 5.0294 8.2898 124.0837 53.3786 42.4863 176.0085 83 K 4.3963 9.1515 128.1118 55.3997 33.3192 176.2728 84 K 4.8128 8.6509 125.5538 55.0788 33.5953 176.3181 85 I 4.6256 8.8331 126.9619 58.4879 40.0001 173.9623 86 P 4.7713 0.0000 0.0000 62.2523 32.1526 177.0311 87 L 4.0812 8.4573 121.4854 58.8022 41.7415 179.1224 88 E 3.9646 8.2890 116.3363 60.3355 29.6130 178.8523 89 K 3.8534 8.1220 117.6826 59.6182 31.8961 178.9554 90 M 4.2767 7.8473 119.0443 58.7789 32.0475 179.0583 91 L 4.1234 7.6449 117.5476 57.1707 42.0054 178.4388 92 A 4.4396 8.2125 118.5205 51.3204 18.5715 176.9804 93 T 4.1005 7.4674 113.0810 64.1404 71.2536 172.4733 94 H 4.7891 8.6427 126.7762 56.9792 25.9159 175.7243 95 P 4.2612 0.0000 0.0000 66.8603 30.3866 177.0370 96 E 3.8509 8.1135 117.4282 58.8723 29.0270 179.4811 97 R 3.8704 8.4639 119.2451 59.0444 29.6945 178.8036 98 V 3.5520 7.6843 118.0255 66.2270 31.3572 177.7515 99 L 3.9964 7.8613 119.0972 58.0964 42.1861 178.0318 100 E 3.9951 8.0406 118.2144 60.1080 29.4255 178.8767 101 H 3.9523 9.4106 118.1540 59.5436 29.5896 176.5571 102 A 4.1243 7.5246 120.0387 55.6457 18.2774 179.6751 103 V 3.6987 8.0547 115.9026 65.4303 31.4921 178.3970 104 K 4.2238 8.2539 119.9295 59.6566 31.9236 178.8948 105 G 3.7798 7.6349 104.5618 47.9619 0.0000 174.6909 106 M 4.2748 7.4860 117.5725 55.6856 32.6446 176.5172 107 L 4.4833 7.1877 118.8119 52.6372 43.0498 174.8551 108 P 4.4555 0.0000 0.0000 62.8676 31.9841 176.9497 109 K 4.1277 8.6407 119.4777 59.3791 32.8753 179.7277 110 G 4.0317 7.7787 104.2289 44.1302 0.0000 171.3138 111 P 4.2140 0.0000 0.0000 65.6448 31.3711 178.0371 112 L 4.0213 7.9985 117.5192 58.4685 42.1693 178.7725 113 G 3.7260 8.0920 104.9033 47.8708 0.0000 175.2923 114 R 3.9290 8.2155 120.9559 59.0009 30.2335 179.1923 115 R 4.1595 8.3078 118.1681 58.9590 30.0226 178.3316 116 L 3.8620 7.9430 119.1477 58.0094 41.5057 179.2165 117 F 3.8984 7.4907 118.9690 61.1259 39.1933 176.7269 118 K 4.1163 7.7826 117.5454 58.3239 32.1202 177.4923 119 R 3.5769 7.0826 117.6868 54.6724 30.3515 173.9209 120 L 3.7922 7.5207 121.6750 53.8574 41.9477 171.8427 121 K 4.6223 8.6958 126.9357 54.2901 35.0016 175.4014 122 V 4.9399 8.3243 124.3999 61.3781 33.6702 174.1126 123 Y 4.7916 8.7863 122.7272 56.0681 42.2852 174.4752 124 A 4.7149 8.7426 123.2442 52.2928 20.3273 175.4110 125 G 4.3468 9.0340 112.6286 46.4579 0.0000 173.1395 126 P 4.7800 0.0000 0.0000 60.1796 31.2597 178.0002 127 D 4.1916 8.7911 122.9291 54.2461 37.1018 172.0322 128 H 4.4023 7.9555 118.4307 52.7884 30.5032 174.1853 129 P 4.2504 0.0000 0.0000 65.4746 32.0069 176.8697 130 H 4.5458 7.5225 117.6070 55.6923 27.9329 177.4093 131 Q 4.3058 7.5312 120.3353 55.4633 26.9542 175.8171 132 A 4.3487 7.0244 121.8488 50.6579 20.2503 173.4807 133 Q 3.7833 8.2847 124.8668 55.1784 30.6569 173.3939 134 R 4.9936 8.1580 116.4556 54.7388 30.3672 171.9650 135 P 4.1927 0.0000 0.0000 63.2675 33.0596 176.7199 136 E 4.4613 8.8690 126.5767 56.3775 29.7917 175.9580 137 K 4.6688 8.6026 126.7436 54.6654 35.0862 176.7244 138 L 4.2683 8.4934 125.3392 53.9233 41.7011 177.3786 *139 E 4.1515 8.5639 118.9100 56.0002 30.3597 172.9881 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 M 8.30 4.42 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 K 7.44 3.93 0.00 1.63 1.39 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 1.51 7.81 3 T 8.81 3.62 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 1.27 0.00 0.00 4 Y 7.99 4.55 0.00 2.90 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 5 V 7.85 3.57 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 0.74 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.53 0.00 2.22 2.13 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 7 K 8.22 4.30 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 Q 8.62 4.23 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 9 V 8.13 4.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 10 E 8.49 4.35 0.00 1.96 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 2.26 2.37 0.00 11 P 0.00 4.32 0.00 2.06 2.27 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 12 R 8.44 4.69 0.00 2.05 2.04 0.00 3.22 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 13 W 8.69 5.40 0.00 3.09 3.11 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 14 V 9.11 4.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 15 L 8.53 4.78 0.00 1.88 1.53 0.94 0.59 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 16 I 8.27 4.42 1.88 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 1.24 1.39 0.91 0.00 0.00 17 D 9.06 5.34 0.00 2.79 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 18 A 8.69 4.66 1.24 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 19 E 8.49 4.49 0.00 2.14 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 2.23 2.24 0.00 20 G 7.94 4.23 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 0.00 21 K 7.92 4.79 0.00 1.84 1.65 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 22 T 8.33 4.23 4.25 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 1.22 0.00 0.00 23 L 8.14 4.07 0.00 1.66 1.59 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.29 4.36 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 0.00 25 R 7.71 4.23 0.00 1.95 1.99 0.00 3.20 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 26 L 7.93 4.31 0.00 1.79 1.65 0.92 1.35 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 27 A 8.28 3.94 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 28 T 7.77 3.75 4.23 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 1.24 0.00 0.00 29 K 7.88 3.96 0.00 1.98 1.81 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.70 7.81 30 I 7.91 3.62 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.84 0.00 0.00 31 A 8.38 3.94 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 32 T 7.22 3.79 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 1.06 0.00 0.00 33 L 7.99 3.94 0.00 1.82 1.62 0.91 0.37 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 34 L 7.77 3.91 0.00 1.82 1.59 0.76 0.84 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 35 R 7.99 4.47 0.00 1.81 2.31 0.00 3.15 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 36 G 9.96 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.93 3.85 0.00 1.44 1.61 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.61 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 0.99 7.81 38 H 8.13 4.36 0.00 3.27 3.35 0.00 5.55 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.77 4.59 0.00 2.04 2.03 0.00 3.19 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 40 P 0.00 4.20 0.00 2.25 2.26 0.00 3.79 0.00 0.00 3.67 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 41 D 8.18 4.20 0.00 2.82 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 42 W 7.65 3.60 0.00 3.49 3.35 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 0.00 0.00 0.00 0.00 43 T 7.01 4.05 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 1.07 0.00 0.00 44 P 0.00 3.81 0.00 2.09 2.27 0.00 3.23 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 45 N 7.52 4.96 0.00 2.72 2.77 0.00 0.00 6.63 7.33 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 46 V 8.09 4.06 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 0.59 0.00 0.00 0.88 0.00 0.00 47 A 7.85 3.85 1.39 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 48 M 8.01 4.47 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 49 G 7.67 5.03 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 50 D 8.01 5.02 0.00 2.56 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.50 4.11 0.00 1.51 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 52 V 7.96 4.26 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 0.89 0.00 0.00 0.80 0.00 0.00 53 V 8.42 4.55 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 1.08 0.00 0.00 1.20 0.00 0.00 54 V 7.81 4.45 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 0.99 0.00 0.00 0.93 0.00 0.00 55 V 8.01 4.51 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 1.00 0.00 0.00 56 N 8.94 4.42 0.00 2.87 2.87 0.00 0.00 6.97 7.96 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 57 A 8.54 4.23 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.73 3.91 0.00 2.92 2.84 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 0.00 0.00 0.00 59 K 8.52 4.22 0.00 2.03 2.17 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 60 I 7.56 3.65 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 1.00 0.00 0.00 61 R 8.94 4.25 0.00 1.89 1.87 0.00 3.23 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 62 V 8.15 4.55 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 0.75 0.00 0.00 0.94 0.00 0.00 63 T 8.04 4.51 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 64 G 7.93 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 65 K 8.48 4.67 0.00 1.85 1.78 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 66 K 8.12 3.76 0.00 1.84 1.85 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.54 7.81 67 L 7.66 4.49 0.00 1.62 1.66 0.92 0.87 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 68 E 6.85 5.98 0.00 2.22 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 2.07 2.01 0.00 69 Q 7.68 4.39 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 70 K 8.48 4.05 0.00 1.68 1.66 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.77 1.05 7.81 71 I 7.96 4.73 1.81 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 1.31 0.91 0.98 0.00 0.00 72 Y 8.68 4.52 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 5.92 4.30 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 1.28 0.00 0.00 74 R 8.51 4.68 0.00 1.75 1.79 0.00 3.07 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 Y 8.98 5.87 0.00 2.88 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 76 S 8.50 4.06 0.00 4.03 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 77 G 5.70 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.91 4.62 0.00 2.93 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 79 P 0.00 4.63 0.00 2.11 2.05 0.00 3.93 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 80 G 9.22 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 81 G 8.30 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 0.00 0.00 0.00 0.00 82 L 8.29 5.03 0.00 1.68 1.68 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.15 4.40 0.00 1.90 1.77 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.57 7.81 84 K 8.65 4.81 0.00 1.65 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 85 I 8.83 4.63 1.98 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 1.32 0.95 0.98 0.00 0.00 86 P 0.00 4.77 0.00 2.23 2.18 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 87 L 8.46 4.08 0.00 1.99 1.75 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.29 3.96 0.00 1.99 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 0.00 2.34 2.45 0.00 89 K 8.12 3.85 0.00 2.01 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.68 7.81 90 M 7.85 4.28 0.00 2.01 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 91 L 7.64 4.12 0.00 1.59 1.75 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.21 4.44 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 93 T 7.47 4.10 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 1.31 0.00 0.00 94 H 8.64 4.79 0.00 3.33 3.59 0.00 5.98 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 95 P 0.00 4.26 0.00 2.27 2.35 0.00 3.70 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 96 E 8.11 3.85 0.00 2.12 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 0.00 2.37 2.37 0.00 97 R 8.46 3.87 0.00 1.91 1.87 0.00 3.06 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 1.61 1.63 0.00 98 V 7.68 3.55 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 1.17 0.00 0.00 0.96 0.00 0.00 99 L 7.86 4.00 0.00 1.74 1.65 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.04 4.00 0.00 2.46 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 2.57 2.36 0.00 101 H 9.41 3.95 0.00 3.10 3.16 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.52 4.12 1.49 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 0.00 0.00 103 V 8.05 3.70 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 0.99 0.00 0.00 1.02 0.00 0.00 104 K 8.25 4.22 0.00 1.82 1.80 0.00 0.92 0.00 0.00 1.32 0.00 0.00 2.64 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.11 7.81 105 G 7.63 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 0.00 106 M 7.49 4.27 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 107 L 7.19 4.48 0.00 1.83 1.64 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.46 0.00 2.07 2.04 0.00 3.72 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 2.11 2.17 0.00 109 K 8.64 4.13 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 110 G 7.78 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 0.00 111 P 0.00 4.21 0.00 2.16 2.10 0.00 3.62 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 2.10 2.13 0.00 112 L 8.00 4.02 0.00 1.59 1.71 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.09 3.73 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 0.00 0.00 0.00 114 R 8.22 3.93 0.00 2.10 2.02 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 115 R 8.31 4.16 0.00 1.88 2.14 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 116 L 7.94 3.86 0.00 2.00 1.71 0.98 0.79 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 0.00 117 F 7.49 3.90 0.00 3.14 3.28 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 0.00 118 K 7.78 4.12 0.00 2.03 1.84 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.58 7.81 119 R 7.08 3.58 0.00 1.05 0.66 0.00 2.56 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.24 0.00 120 L 7.52 3.79 0.00 1.29 1.47 0.36 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.70 4.62 0.00 2.02 2.23 0.00 1.48 0.00 0.00 1.56 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.52 7.81 122 V 8.32 4.94 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 0.84 0.00 0.00 0.90 0.00 0.00 123 Y 8.79 4.79 0.00 3.04 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 0.00 124 A 8.74 4.71 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 0.00 125 G 9.03 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.78 0.00 2.21 1.51 0.00 3.92 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 1.99 2.00 0.00 127 D 8.79 4.19 0.00 2.82 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 0.00 128 H 7.96 4.40 0.00 2.76 2.98 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.25 0.00 2.13 2.17 0.00 2.80 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.07 0.00 130 H 7.52 4.55 0.00 3.24 3.22 0.00 5.90 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.53 4.31 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 132 A 7.02 4.35 0.90 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 0.00 133 Q 8.28 3.78 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.53 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 134 R 8.16 4.99 0.00 1.95 2.00 0.00 3.38 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 135 P 0.00 4.19 0.00 2.23 2.14 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 136 E 8.87 4.46 0.00 2.00 1.91 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 2.31 2.31 0.00 137 K 8.60 4.67 0.00 1.70 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.66 7.81 138 L 8.49 4.27 0.00 1.63 1.64 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.56 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.