NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2715 8.2531 123.5796 52.0297 20.9064 177.6280 4 G 3.8805 7.8482 102.0484 45.2247 0.0000 170.9559 5 V 4.0342 8.0948 121.2700 62.8195 33.3941 180.3150 6 A 4.0821 8.2875 120.0044 55.6814 17.8111 178.6042 7 A 4.1255 7.5598 115.0195 53.1633 18.9098 178.4500 8 W 4.7270 8.5727 120.4219 58.4133 30.2684 178.7424 9 L 4.1121 7.6629 121.9962 59.1814 40.1816 181.5653 10 P 4.6226 0.0000 0.0000 65.8374 30.7229 178.5368 11 F 4.3764 7.5960 116.4102 60.0542 38.9383 177.3211 12 A 4.2457 8.1176 122.6790 56.0183 18.3749 180.1893 13 R 3.7736 8.4889 119.2262 61.6541 28.2708 180.6213 14 A 4.1761 8.2149 119.7494 55.2337 18.2002 179.0254 15 A 4.0653 8.0645 116.8300 53.4562 18.8002 179.3330 16 A 3.2161 7.9339 122.7901 54.7219 18.3287 177.8723 17 I 3.4650 6.2956 116.2113 62.0440 34.7702 176.3609 18 G 4.0543 8.3603 115.0540 44.3789 0.0000 173.6155 19 W 4.5506 7.7264 119.2070 57.4459 31.3894 171.5222 20 M 3.2810 9.1793 122.0515 54.8910 32.8860 174.1427 *23 A 4.2965 8.9479 126.0697 51.6618 19.3804 179.4018 24 N 4.5961 8.6677 118.7026 53.3888 40.4213 177.4925 25 C 4.6795 8.1464 114.4413 59.3389 31.5213 175.0501 26 P 4.7824 0.0000 0.0000 62.1507 30.1573 180.9097 27 M 4.3116 7.6362 121.3630 54.7113 30.5788 177.3733 *35 N 4.6993 8.5651 117.8539 54.7569 40.3619 173.3369 36 K 4.7061 8.0068 120.8791 56.6584 30.1862 176.3870 37 R 4.8131 8.2675 119.4643 55.7360 33.0384 172.8925 38 Q 4.4556 8.2945 115.1026 57.3919 30.9752 174.2066 39 D 4.7939 8.3804 115.3735 53.1567 44.3276 174.7122 40 E 5.0975 8.8320 124.5680 54.4643 33.6677 174.8093 41 L 4.6502 8.5099 121.9859 54.3344 42.7711 176.4511 42 I 4.6245 9.1919 117.2083 59.3723 40.5031 174.5425 43 V 4.7407 8.5441 122.8228 61.4218 33.9890 174.2447 44 L 5.0171 9.4896 130.2236 53.0377 43.2117 175.2719 45 N 4.8608 9.6059 125.0157 53.4664 39.9474 173.9621 46 V 4.3343 8.8551 128.1226 61.1890 32.2938 175.0475 47 S 3.7937 8.3079 118.8686 57.9019 62.3161 170.7326 48 G 3.5791 7.5442 112.5957 45.9030 0.0000 174.6988 49 R 3.6344 7.8989 122.4027 56.2418 30.1570 176.2696 50 R 4.5771 8.1339 123.1535 54.9182 29.8122 176.2424 51 F 4.3459 9.3158 123.8283 57.3061 40.4900 174.6597 52 Q 5.1195 8.5776 119.8539 54.6917 32.2177 174.3951 53 T 4.6076 8.6097 116.4434 60.3752 71.7859 172.8947 54 W 4.8246 8.7026 125.5568 56.4360 30.2237 177.2153 55 R 3.9854 9.5586 124.0443 60.0628 29.3796 178.7517 56 T 4.0882 8.2492 108.8614 65.6584 68.4637 175.6830 57 T 4.0116 8.0800 118.2939 66.6083 68.4870 176.4319 58 L 4.2625 8.0785 120.6154 57.7820 41.5767 179.1380 59 E 4.1674 7.8333 117.2606 58.8182 29.3818 178.8164 60 R 4.0910 7.5897 117.7365 58.0292 31.0742 175.7488 61 Y 4.3930 7.7500 116.4858 54.8679 38.1834 173.0381 62 P 4.6031 0.0000 0.0000 62.4496 32.5982 176.7615 63 D 4.6086 8.8679 114.8094 53.8551 37.8164 173.4322 64 T 4.5918 6.9001 108.9504 60.7764 70.9080 175.5897 65 L 3.6136 7.8893 124.5072 57.8807 43.7119 178.8225 66 L 3.9871 7.9021 118.6892 57.6093 41.9781 179.1262 67 G 4.4051 8.3004 107.6211 47.5141 0.0000 172.9461 68 S 5.0044 7.6941 114.7352 57.5438 65.3504 173.8472 69 T 4.1331 8.3990 111.7697 64.6323 67.0890 176.8878 70 E 4.1579 8.4031 121.6799 59.5445 29.5505 178.7353 71 K 4.3169 8.0116 117.9867 60.0032 32.1751 178.2634 72 E 4.4079 8.6007 120.9878 59.2045 29.2431 178.0921 73 F 4.6206 8.4782 116.2752 58.9425 39.2364 175.5280 74 F 4.8298 8.9300 117.2506 56.9867 40.5885 174.5719 75 F 4.6282 8.2151 122.5294 57.6056 40.4718 174.2731 76 N 4.5204 7.7591 125.1133 51.7826 39.8834 174.6333 77 E 3.8805 9.0382 127.7407 59.5893 29.1106 177.3976 78 D 4.3741 7.2213 117.9846 56.4638 41.2343 177.5473 79 T 3.7332 7.8250 114.2826 62.8186 69.0089 173.9241 80 K 3.6025 7.3975 121.8910 56.5392 31.3352 173.9601 81 E 4.7253 6.7350 111.7422 54.5372 33.5944 173.5565 82 Y 4.7429 8.4861 118.6093 58.0118 39.1419 174.4915 83 F 5.2956 8.8355 126.4032 56.3148 42.1712 174.0337 84 F 4.8812 8.4035 124.4420 55.0945 42.0510 175.1266 85 D 4.5434 8.7410 124.5851 54.6593 41.4782 175.8095 86 R 4.3776 7.4243 116.9899 53.8350 32.2778 175.6017 87 D 4.5182 8.3023 118.4505 53.9345 41.6482 175.1982 88 P 4.1931 0.0000 0.0000 65.5057 32.1686 177.1682 89 E 4.1841 8.4506 119.6687 59.2645 30.0059 178.7774 90 V 3.6770 9.7821 119.4063 65.7954 32.0114 177.6330 91 F 3.5358 7.8751 121.2852 61.2637 38.7592 177.2430 92 R 4.0239 8.2840 117.8822 59.6471 29.8394 178.7575 93 C 4.1638 8.4238 116.5775 62.6966 27.9830 176.0824 94 V 3.3318 7.4041 118.0546 65.8639 31.2206 177.3475 95 L 3.7571 7.5652 120.0985 58.2455 41.8684 178.6976 96 N 4.4633 8.5279 116.5626 56.0958 38.1397 177.1516 97 F 4.4884 8.2059 123.4602 60.8823 39.5108 176.5579 98 Y 3.9537 8.1475 115.5227 61.2321 37.6619 177.1733 99 R 4.2386 7.7050 119.9668 57.4596 30.8164 176.7405 100 T 4.1958 7.1371 108.5578 61.0731 70.2934 176.1608 101 G 3.6393 8.5735 111.9003 48.2475 0.0000 173.9597 102 K 4.2863 7.5063 119.2296 55.6560 33.2501 175.8844 103 L 4.7170 8.6558 126.6773 54.2226 43.5201 174.6149 104 H 4.9673 8.8711 123.2720 54.2825 31.2383 174.0060 105 Y 4.1439 8.4959 123.3282 55.1285 38.5929 173.1789 106 P 3.7803 0.0000 0.0000 63.4880 30.4355 178.6207 107 R 3.8956 8.0062 122.2824 56.2669 28.7312 174.2822 108 Y 4.6322 7.9939 118.0857 59.2676 39.8272 176.2871 109 E 4.1254 6.6449 118.0350 55.6879 29.8357 176.5930 110 C 4.3976 8.3011 121.3631 59.3464 33.3198 173.9513 111 I 3.7497 8.6461 128.5513 65.1846 36.7607 177.9363 112 S 4.0947 8.1720 112.3603 61.8524 61.1932 176.1805 113 A 4.0663 7.7619 122.0354 54.9614 18.1288 178.1159 114 Y 4.5413 8.2761 115.9576 58.2467 39.7862 177.6347 115 D 4.1806 8.1786 119.6743 57.6376 41.1360 177.5857 116 D 4.4374 7.9551 119.4239 57.8528 40.8866 179.3618 117 E 3.9428 7.6658 118.8229 59.4075 29.4842 179.3801 118 L 3.9010 7.6409 118.6646 57.6663 41.7236 179.4831 119 A 3.9443 8.2901 121.1338 54.8590 18.0563 179.4171 120 F 4.0115 7.7243 117.7588 61.6519 39.4281 176.4332 121 Y 4.3354 7.8839 114.1003 58.0017 37.4876 176.8079 122 G 3.8572 7.5164 106.9887 45.7648 0.0000 173.1468 123 I 4.1261 7.2530 119.9193 58.9308 38.8733 175.6726 124 L 4.1180 8.3648 125.1469 54.3815 42.2373 176.4169 125 P 3.8317 0.0000 0.0000 64.9431 32.1860 176.6176 126 E 4.5134 7.6001 113.7988 55.3344 29.0006 175.8547 127 I 4.1690 7.4968 115.8804 61.8402 37.8502 176.9921 128 I 3.9320 6.7925 121.9454 60.4353 37.5068 176.7948 129 G 3.8659 8.4688 111.4971 44.5689 0.0000 174.1789 130 D 4.4691 8.5420 120.0120 57.1619 40.7812 178.4843 131 C 4.3067 8.1622 114.1750 60.9211 29.8601 174.6859 132 C 4.8522 8.0414 119.6294 61.0582 29.4049 175.8734 *133 Y 4.3539 8.0013 121.6039 60.8228 36.2329 182.0154 134 E 4.2152 8.0779 118.2743 60.5794 29.4448 178.8059 135 E 4.1936 8.1228 117.5852 58.9518 29.5166 178.4293 136 Y 3.4294 8.6322 122.0811 61.1211 39.0013 177.9589 137 K 4.0286 7.8747 124.0969 59.4476 31.6937 181.6034 138 D 4.8349 8.0231 120.1255 55.5250 41.1121 177.0548 139 R 4.6703 7.5760 118.5295 56.3454 30.0692 176.0078 140 K 4.0071 8.0832 125.6418 55.7890 32.6157 178.2206 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 3 A 8.25 4.27 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.85 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 0.00 0.00 0.00 5 V 8.09 4.03 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 0.75 0.00 0.00 0.93 0.00 0.00 6 A 8.29 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.56 4.13 1.29 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 0.00 0.00 8 W 8.57 4.73 0.00 3.51 3.37 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 9 L 7.66 4.11 0.00 1.77 1.70 0.92 0.80 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 10 P 0.00 4.62 0.00 1.88 2.15 0.00 3.43 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 11 F 7.60 4.38 0.00 3.34 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 12 A 8.12 4.25 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 13 R 8.49 3.77 0.00 1.78 1.98 0.00 3.28 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 14 A 8.21 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.06 4.07 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 16 A 7.93 3.22 0.97 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 17 I 6.30 3.47 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 1.23 0.72 0.91 0.00 0.00 18 G 8.36 4.05 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 0.00 19 W 7.73 4.55 0.00 3.52 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 20 M 9.18 3.28 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.14 0.00 *23 A 8.95 4.30 1.14 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 0.00 0.00 0.00 24 N 8.67 4.60 0.00 2.87 2.67 0.00 0.00 6.21 7.66 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 25 C 8.15 4.68 0.00 2.67 2.75 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 26 P 0.00 4.78 0.00 2.08 1.90 0.00 3.74 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 1.88 1.57 0.00 27 M 7.64 4.31 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.14 0.00 *35 N 8.57 4.70 0.00 2.76 2.72 0.00 0.00 6.32 7.44 0.00 0.00 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 K 8.01 4.71 0.00 1.76 0.86 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 0.99 7.81 37 R 8.27 4.81 0.00 1.76 1.71 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 38 Q 8.29 4.46 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 39 D 8.38 4.79 0.00 2.56 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.83 5.10 0.00 2.05 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 2.38 2.42 0.00 41 L 8.51 4.65 0.00 1.32 1.32 0.78 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.19 4.62 2.17 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 1.37 0.93 1.06 0.00 0.00 43 V 8.54 4.74 2.19 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 1.06 0.00 0.00 0.99 0.00 0.00 44 L 9.49 5.02 0.00 1.67 1.81 1.11 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.61 4.86 0.00 2.86 2.99 0.00 0.00 6.35 7.60 0.00 0.00 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 8.86 4.33 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 0.79 0.00 0.00 0.04 0.00 0.00 47 S 8.31 3.79 0.00 4.15 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 0.00 48 G 7.54 3.58 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 0.00 0.00 0.00 49 R 7.90 3.63 0.00 1.80 1.43 0.00 3.17 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 50 R 8.13 4.58 0.00 1.63 1.88 0.00 3.19 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 51 F 9.32 4.35 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.58 5.12 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 53 T 8.61 4.61 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 1.24 0.00 0.00 54 W 8.70 4.82 0.00 3.52 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 55 R 9.56 3.99 0.00 2.15 2.08 0.00 3.19 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 56 T 8.25 4.09 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 57 T 8.08 4.01 4.53 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 1.37 0.00 0.00 58 L 8.08 4.26 0.00 1.90 1.69 0.76 0.47 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 59 E 7.83 4.17 0.00 2.10 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 2.40 2.54 0.00 60 R 7.59 4.09 0.00 2.13 2.11 0.00 3.31 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.56 0.00 61 Y 7.75 4.39 0.00 2.78 2.80 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 0.00 0.00 0.00 62 P 0.00 4.60 0.00 2.21 2.11 0.00 3.43 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 63 D 8.87 4.61 0.00 3.01 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 64 T 6.90 4.59 4.44 0.00 0.00 0.00 0.00 0.00 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 65 L 7.89 3.61 0.00 1.75 1.62 0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.90 3.99 0.00 1.26 1.45 0.53 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.30 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.69 5.00 0.00 4.05 4.07 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 69 T 8.40 4.13 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 70 E 8.40 4.16 0.00 2.20 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 0.00 2.75 2.72 0.00 71 K 8.01 4.32 0.00 2.21 2.36 0.00 0.61 0.00 0.00 1.45 0.00 0.00 2.64 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.51 7.81 72 E 8.60 4.41 0.00 2.21 1.73 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 2.21 2.32 0.00 73 F 8.48 4.62 0.00 3.23 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.93 4.83 0.00 3.16 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 75 F 8.22 4.63 0.00 2.79 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 76 N 7.76 4.52 0.00 2.54 2.40 0.00 0.00 6.60 7.23 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 77 E 9.04 3.88 0.00 1.93 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 0.00 2.31 2.44 0.00 78 D 7.22 4.37 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.82 3.73 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 1.08 0.00 0.00 80 K 7.40 3.60 0.00 2.00 1.84 0.00 1.85 0.00 0.00 2.03 0.00 0.00 3.26 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.50 7.81 81 E 6.74 4.73 0.00 2.22 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 2.11 2.35 0.00 82 Y 8.49 4.74 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 83 F 8.84 5.30 0.00 2.92 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 84 F 8.40 4.88 0.00 2.87 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 85 D 8.74 4.54 0.00 2.96 2.77 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 86 R 7.42 4.38 0.00 1.86 2.01 0.00 3.13 0.00 0.00 2.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.00 87 D 8.30 4.52 0.00 2.80 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 88 P 0.00 4.19 0.00 2.38 2.46 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 89 E 8.45 4.18 0.00 2.18 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 2.56 2.58 0.00 90 V 9.78 3.68 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 0.97 0.00 0.00 1.16 0.00 0.00 91 F 7.88 3.54 0.00 3.15 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 92 R 8.28 4.02 0.00 2.33 2.09 0.00 3.33 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 93 C 8.42 4.16 0.00 3.09 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 94 V 7.40 3.33 1.07 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 0.15 0.00 0.00 0.51 0.00 0.00 95 L 7.57 3.76 0.00 1.46 1.55 0.73 0.75 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 96 N 8.53 4.46 0.00 3.07 2.94 0.00 0.00 6.73 7.67 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 97 F 8.21 4.49 0.00 2.86 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 98 Y 8.15 3.95 0.00 3.09 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 99 R 7.70 4.24 0.00 1.96 1.91 0.00 3.24 0.00 0.00 3.36 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 100 T 7.14 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 1.24 0.00 0.00 101 G 8.57 3.64 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 0.00 102 K 7.51 4.29 0.00 1.73 1.58 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.36 7.81 103 L 8.66 4.72 0.00 1.74 1.50 0.82 0.68 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 0.00 104 H 8.87 4.97 0.00 3.10 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.50 4.14 0.00 2.80 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 0.00 106 P 0.00 3.78 0.00 0.73 1.73 0.00 3.01 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.58 0.00 107 R 8.01 3.90 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 7.99 4.63 0.00 2.76 2.96 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 0.00 109 E 6.64 4.13 0.00 1.39 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 2.29 2.12 0.00 110 C 8.30 4.40 0.00 3.03 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 0.00 111 I 8.65 3.75 1.83 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.80 0.00 0.00 112 S 8.17 4.09 0.00 3.90 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 0.00 113 A 7.76 4.07 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 0.00 114 Y 8.28 4.54 0.00 3.12 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 0.00 115 D 8.18 4.18 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.96 4.44 0.00 2.95 2.75 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 0.00 117 E 7.67 3.94 0.00 2.32 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 2.46 2.57 0.00 118 L 7.64 3.90 0.00 1.64 1.67 0.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.29 3.94 1.35 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 0.00 120 F 7.72 4.01 0.00 2.79 2.80 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 0.00 0.00 0.00 121 Y 7.88 4.34 0.00 2.92 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 0.00 122 G 7.52 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 0.00 123 I 7.25 4.13 1.56 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 0.43 0.02 0.31 0.00 0.00 124 L 8.36 4.12 0.00 1.56 1.49 0.87 1.03 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 0.00 125 P 0.00 3.83 0.00 2.04 2.09 0.00 3.80 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 1.99 1.99 0.00 126 E 7.60 4.51 0.00 1.96 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 2.25 0.00 127 I 7.50 4.17 1.66 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 1.24 0.60 1.03 0.00 0.00 128 I 6.79 3.93 1.70 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.86 0.91 0.00 0.00 129 G 8.47 3.87 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 0.00 0.00 0.00 130 D 8.54 4.47 0.00 2.65 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 C 8.16 4.31 0.00 3.18 3.12 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 0.00 132 C 8.04 4.85 0.00 3.04 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 Y 8.00 4.35 0.00 2.33 2.30 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 0.00 134 E 8.08 4.22 0.00 2.02 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 2.51 2.37 0.00 135 E 8.12 4.19 0.00 2.14 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 0.00 2.46 2.38 0.00 136 Y 8.63 3.43 0.00 2.78 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 0.00 137 K 7.87 4.03 0.00 1.85 1.74 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 8.02 4.83 0.00 2.60 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.58 4.67 0.00 1.80 1.92 0.00 3.08 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 140 K 8.08 4.01 0.00 1.74 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.