NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5243 8.3049 120.3466 55.5477 33.9637 175.0893 2 K 4.0092 7.7166 124.4539 56.9503 35.1848 172.4428 3 T 3.0509 7.7382 117.4129 66.0301 74.7880 170.0472 4 Y 4.8117 8.2580 116.3611 59.7558 45.4914 175.6499 5 V 3.7050 7.9399 118.3649 61.6459 31.6443 173.8365 6 P 4.6260 0.0000 0.0000 61.7084 32.3799 176.0162 7 K 4.3212 8.4638 121.3040 55.2005 33.1881 176.5293 8 Q 3.7220 8.0876 118.6483 56.3269 28.4274 177.0432 9 V 4.3595 8.0507 122.4438 60.3737 33.7615 174.5561 10 E 4.1539 8.6023 126.7026 55.1281 30.0303 175.0226 11 P 4.5259 0.0000 0.0000 62.7641 32.2601 175.4276 12 R 4.7383 8.3817 119.4323 54.3024 32.4757 175.1301 13 W 4.7515 9.3466 126.5689 57.1264 30.4296 175.6185 14 V 4.7211 8.1812 117.7915 61.0279 33.9885 172.0023 15 L 5.3914 8.4510 123.9248 53.4837 45.3270 174.9925 16 I 4.9148 8.8310 118.4942 59.1124 41.6034 174.3467 17 D 5.1992 8.3140 119.9787 52.4844 41.0436 175.5977 18 A 4.5994 8.0494 120.7757 54.0839 19.0660 180.8512 19 E 3.9417 8.5291 121.3966 60.6846 29.9292 178.5430 20 G 3.8745 7.8929 105.5677 45.4535 0.0000 173.5970 21 K 4.3682 8.7890 121.2235 55.8253 34.1801 176.5980 22 T 5.0922 8.6296 119.1642 62.5089 69.1505 174.1602 23 L 4.0505 8.5189 127.7830 57.6246 40.6766 175.6338 24 G 4.3009 9.2916 110.3045 46.4421 0.0000 175.9778 25 R 3.9287 7.8676 118.4120 58.5452 30.0913 178.7492 26 L 3.7963 8.2111 120.1336 58.1985 42.1678 178.7704 27 A 3.9855 8.0769 120.2174 55.4621 18.3471 179.3559 28 T 3.7966 7.9646 114.2465 66.7742 68.5398 176.7929 29 K 3.8826 7.5363 119.7119 59.7077 31.9269 179.1962 30 I 3.6422 7.6703 118.3466 64.5006 37.2089 178.1063 31 A 4.0850 8.1893 121.2791 55.6851 18.2821 179.6870 32 T 3.7454 7.7474 113.9504 66.8265 67.9762 176.7643 33 L 3.9946 7.8945 120.8689 57.5880 41.6921 178.9497 34 L 3.9029 8.0992 119.5503 56.9884 41.7791 177.6590 35 R 4.5718 7.4132 114.9058 56.1352 30.4732 176.4517 36 G 4.1358 9.3977 108.6276 46.0096 0.0000 175.6093 37 K 3.4244 7.4486 120.6842 58.0203 32.2683 178.3250 38 H 4.4465 8.0538 114.0527 57.6176 29.6272 176.2335 39 R 4.0216 7.4974 120.5304 55.5958 30.3630 174.3897 40 P 4.7792 0.0000 0.0000 63.0577 31.5263 176.6339 41 D 4.5034 8.5434 120.3086 57.1428 41.1817 176.3122 42 W 4.2987 7.2708 126.1803 55.6529 31.5968 175.2586 43 T 4.1556 6.5629 121.7570 61.6674 71.6825 172.1718 44 P 3.6824 0.0000 0.0000 64.1679 31.9078 176.5029 45 N 4.6912 7.7084 114.9849 52.5816 37.8006 175.5905 46 V 3.9734 7.0560 116.9065 60.8862 33.4852 172.7004 47 A 3.5097 8.6136 124.6598 52.1378 14.6553 177.6618 48 M 4.7634 7.7724 124.5094 53.8662 31.3662 175.7890 49 G 4.6089 7.6987 106.6605 44.0587 0.0000 173.1119 50 D 4.7544 7.9366 119.0884 54.4992 41.3537 177.3430 51 F 3.3254 8.2456 119.5139 58.1495 39.1807 173.5206 52 V 3.2357 7.7217 126.6867 62.5639 29.7391 170.2971 53 V 5.0164 8.6272 127.1312 61.1554 34.8115 174.7447 54 V 5.5241 8.8466 125.3444 60.3723 33.9111 175.2991 55 V 4.3590 8.6166 121.3432 60.9839 33.5516 174.8786 56 N 4.4599 8.9436 116.7896 54.4733 36.8324 174.4914 57 A 4.2329 8.8923 129.6391 52.5846 18.6749 182.0652 58 D 4.0253 9.9881 121.5270 53.2097 42.1193 179.9809 59 K 3.5583 9.2108 114.3188 57.2001 33.2359 173.3782 60 I 3.5770 7.6780 112.0563 56.9634 38.2580 174.9324 61 R 4.6279 9.2414 126.6889 55.5252 32.2320 175.8117 62 V 4.8543 8.0224 119.5676 59.2158 34.2253 174.2685 63 T 4.3129 9.0107 110.5660 61.3559 68.6298 177.2232 64 G 4.3624 8.6344 104.3777 45.1992 0.0000 173.8070 65 K 4.5004 8.6049 125.0364 55.1328 32.0468 176.6450 66 K 4.6715 8.2197 124.4623 55.9071 33.7301 176.0427 67 L 4.3569 8.2001 120.2443 54.7478 41.3493 176.2310 68 E 3.8528 8.9800 120.7284 57.2700 27.2861 176.4093 69 Q 4.0057 7.9633 118.0476 58.3768 29.4589 176.2607 70 K 3.9816 7.8178 124.8036 56.8864 33.2100 174.9357 71 I 4.6273 8.0087 128.8742 59.7966 39.2448 175.9141 72 Y 3.9929 8.8963 126.0740 57.1778 37.0328 176.3815 73 T 3.7890 8.8492 120.2326 64.2149 69.4719 177.3836 74 R 3.4688 8.0666 119.5014 58.3578 29.8585 176.7600 75 Y 4.3417 10.4896 117.7153 56.3591 37.2095 175.0264 76 S 4.6082 8.4499 120.1491 56.5911 62.5601 173.6240 77 G 3.6682 8.8534 120.0609 46.5496 0.0000 171.5510 78 Y 4.8559 7.7161 127.4117 55.8841 40.7634 173.1720 79 P 4.8468 0.0000 0.0000 61.1658 32.7954 174.9628 80 G 4.7486 7.4256 121.8594 46.1293 0.0000 172.5167 81 G 4.0030 7.6531 109.9218 43.5752 0.0000 174.0166 82 L 4.8914 8.1329 131.0882 55.4089 40.7337 177.1805 83 K 4.1500 7.6027 118.7137 56.4119 32.7553 175.4965 84 K 4.9703 8.6857 126.5384 55.1437 35.3663 175.4771 85 I 4.6733 8.6603 124.8253 58.4687 40.5552 173.4655 86 P 4.8332 0.0000 0.0000 62.3783 32.1224 176.6561 87 L 4.0596 9.3375 124.5395 59.3721 42.3170 179.5003 88 E 3.8038 7.7864 117.7599 59.1916 29.2513 179.6542 89 K 3.8570 8.3881 118.4367 59.9456 31.8894 178.9365 90 M 4.0411 7.7769 118.3348 58.6167 31.7105 178.7581 91 L 3.9915 7.8923 116.3814 57.9902 41.9872 178.7373 92 A 4.2504 7.9097 119.3766 54.0370 18.2848 177.8464 93 T 4.2146 7.6113 111.2151 61.8638 70.5659 173.6805 94 H 4.7251 8.9451 120.7120 55.1476 26.9366 173.1656 95 P 4.6074 0.0000 0.0000 64.9210 32.0499 178.0476 96 E 3.9341 8.2540 117.7120 59.6149 29.0906 179.1754 97 R 3.7843 7.5739 117.7707 58.9658 29.9280 178.6825 98 V 3.4576 7.3641 118.2274 66.3390 31.3307 177.8224 99 L 4.1162 7.8371 118.8924 57.7374 42.0601 178.1367 100 E 4.0250 7.9793 118.3672 59.6070 29.3669 178.5399 101 H 4.1789 8.9341 116.2109 59.2199 28.7286 177.1887 102 A 4.0741 7.6184 120.5285 55.5276 18.4749 179.6716 103 V 3.7072 8.0299 116.4075 66.0651 31.7204 177.8549 104 K 4.1138 8.9807 119.9453 59.8526 31.6557 178.7059 105 G 3.7777 8.3664 105.0142 47.2269 0.0000 174.4725 106 M 4.5383 8.0642 118.1484 54.0972 32.9392 175.6707 107 L 4.5384 7.2447 119.9643 52.5301 43.3724 175.0632 108 P 4.4825 0.0000 0.0000 62.6285 31.8310 177.4552 109 K 3.9968 8.5275 118.7458 59.2886 33.2743 178.1753 110 G 3.8898 7.7615 106.0043 43.2043 0.0000 171.6514 111 P 4.2247 0.0000 0.0000 65.6400 31.5478 177.9219 112 L 4.1541 8.0721 118.4933 58.4709 41.9252 178.9348 113 G 4.3349 8.1052 106.0763 47.3894 0.0000 175.1199 114 R 3.9213 7.9175 120.0122 59.1408 30.2800 178.3419 115 R 4.0766 8.3744 118.9697 59.2876 30.0623 178.4206 116 L 3.8773 7.8531 118.3808 57.7293 41.6030 179.0249 117 F 3.9989 8.2607 120.4247 61.0889 38.9492 177.3878 118 K 3.9687 7.7957 117.7283 59.3052 31.9723 178.5420 119 R 3.5021 7.7044 116.7966 57.5895 30.0377 176.1555 120 L 4.2837 6.8948 120.9993 53.9596 43.0291 176.0058 121 K 4.2439 8.8808 125.7882 54.6966 34.8067 175.0135 122 V 4.6592 7.8025 125.2049 61.1128 33.2620 174.3952 123 Y 4.7734 9.3649 124.8443 56.0114 41.9977 175.2878 124 A 4.6776 7.9753 124.1824 51.1616 16.8994 179.2942 125 G 3.9108 8.3248 111.1825 44.8107 0.0000 168.6139 126 P 4.3869 0.0000 0.0000 63.2568 32.9009 171.1905 127 D 4.2603 8.7959 127.4864 54.9009 39.0425 174.2207 128 H 3.9709 7.6448 123.1304 52.1162 27.5377 171.4579 129 P 4.1864 0.0000 0.0000 65.8719 30.7963 176.8529 130 H 5.4974 7.7433 135.0000 56.9100 29.7437 173.9592 131 Q 4.2272 7.3540 119.3536 54.6156 30.7896 175.3569 132 A 4.6335 7.3202 127.8965 50.0781 18.9773 174.7183 133 Q 4.3406 7.7770 122.6856 56.1174 32.8836 173.1725 134 R 3.7690 7.2513 113.9030 54.0244 28.3655 173.8732 135 P 4.7877 0.0000 0.0000 59.9752 31.8577 172.6815 136 E 4.7386 8.5860 126.7955 56.7513 29.9866 176.2988 137 K 4.3892 8.6606 126.3400 55.8189 33.9141 177.3235 138 L 4.4453 8.3038 123.8911 53.2638 42.2267 177.4927 *139 E 4.1515 8.3811 117.5430 55.8591 30.3597 175.4316 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 4.52 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 7.72 4.01 0.00 1.57 1.35 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.47 7.81 3 T 7.74 3.05 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 1.25 0.00 0.00 4 Y 8.26 4.81 0.00 2.97 3.02 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 5 V 7.94 3.70 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 0.72 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.63 0.00 2.04 2.01 0.00 3.65 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 1.96 2.10 0.00 7 K 8.46 4.32 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 8 Q 8.09 3.72 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 9 V 8.05 4.36 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 0.84 0.00 0.00 1.03 0.00 0.00 10 E 8.60 4.15 0.00 1.99 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 2.33 2.43 0.00 11 P 0.00 4.53 0.00 2.53 2.30 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 12 R 8.38 4.74 0.00 1.97 1.91 0.00 3.26 0.00 0.00 3.41 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 13 W 9.35 4.75 0.00 3.22 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 14 V 8.18 4.72 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 0.85 0.00 0.00 1.03 0.00 0.00 15 L 8.45 5.39 0.00 1.71 1.54 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.83 4.91 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 1.13 0.49 0.92 0.00 0.00 17 D 8.31 5.20 0.00 2.70 2.55 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 18 A 8.05 4.60 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.53 3.94 0.00 2.07 2.55 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 2.32 2.33 0.00 20 G 7.89 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 21 K 8.79 4.37 0.00 1.70 1.74 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.57 7.81 22 T 8.63 5.09 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 8.52 4.05 0.00 1.68 1.72 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.29 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 0.00 0.00 0.00 0.00 25 R 7.87 3.93 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 26 L 8.21 3.80 0.00 1.75 1.66 0.92 1.13 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 27 A 8.08 3.99 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 7.96 3.80 4.49 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 1.23 0.00 0.00 29 K 7.54 3.88 0.00 1.86 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.67 3.64 2.01 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 0.63 0.86 0.00 0.00 31 A 8.19 4.09 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 32 T 7.75 3.75 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 1.10 0.00 0.00 33 L 7.89 3.99 0.00 1.93 1.65 0.56 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.10 3.90 0.00 1.79 1.68 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.41 4.57 0.00 2.15 2.25 0.00 3.03 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 36 G 9.40 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.45 3.42 0.00 1.45 1.54 0.00 1.09 0.00 0.00 1.37 0.00 0.00 2.58 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.65 0.21 7.81 38 H 8.05 4.45 0.00 3.26 3.37 0.00 5.53 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.50 4.02 0.00 1.86 1.81 0.00 3.13 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 40 P 0.00 4.78 0.00 2.26 2.15 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 41 D 8.54 4.50 0.00 2.72 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 42 W 7.27 4.30 0.00 3.46 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 43 T 6.56 4.16 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 1.08 0.00 0.00 44 P 0.00 3.68 0.00 2.16 2.30 0.00 3.52 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 45 N 7.71 4.69 0.00 2.78 2.87 0.00 0.00 5.83 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.06 3.97 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 0.58 0.00 0.00 0.86 0.00 0.00 47 A 8.61 3.51 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 48 M 7.77 4.76 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 49 G 7.70 4.61 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 50 D 7.94 4.75 0.00 2.70 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 51 F 8.25 3.33 0.00 1.59 1.52 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 52 V 7.72 3.24 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 0.87 0.00 0.00 0.87 0.00 0.00 53 V 8.63 5.02 2.22 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 1.17 0.00 0.00 1.37 0.00 0.00 54 V 8.85 5.52 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 1.10 0.00 0.00 0.93 0.00 0.00 55 V 8.62 4.36 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 0.97 0.00 0.00 1.01 0.00 0.00 56 N 8.94 4.46 0.00 3.11 2.84 0.00 0.00 6.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.89 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.99 4.03 0.00 2.93 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 0.00 0.00 0.00 59 K 9.21 3.56 0.00 1.96 2.15 0.00 1.96 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.38 7.81 60 I 7.68 3.58 1.90 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 1.61 0.44 0.98 0.00 0.00 61 R 9.24 4.63 0.00 1.72 1.89 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 62 V 8.02 4.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.95 0.00 0.00 63 T 9.01 4.31 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 8.63 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 65 K 8.60 4.50 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 66 K 8.22 4.67 0.00 1.73 1.71 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.39 7.81 67 L 8.20 4.36 0.00 1.71 1.62 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.98 3.85 0.00 2.05 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 2.25 2.63 0.00 69 Q 7.96 4.01 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 70 K 7.82 3.98 0.00 1.81 1.69 0.00 1.18 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.37 1.15 7.81 71 I 8.01 4.63 1.84 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 1.33 0.93 0.93 0.00 0.00 72 Y 8.90 3.99 0.00 3.21 3.03 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 73 T 8.85 3.79 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 1.25 0.00 0.00 74 R 8.07 3.47 0.00 2.38 2.03 0.00 3.24 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 75 Y 10.49 4.34 0.00 2.96 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 8.45 4.61 0.00 3.86 3.82 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 77 G 8.85 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 78 Y 7.72 4.86 0.00 2.96 2.91 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 79 P 0.00 4.85 0.00 2.26 2.25 0.00 4.19 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.37 0.00 80 G 7.43 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.65 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 82 L 8.13 4.89 0.00 1.76 1.77 0.94 0.50 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 83 K 7.60 4.15 0.00 1.79 1.96 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.37 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 1.40 7.81 84 K 8.69 4.97 0.00 1.77 1.77 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.43 7.81 85 I 8.66 4.67 1.87 0.00 0.00 0.47 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 1.12 0.85 0.00 0.00 86 P 0.00 4.83 0.00 2.24 2.20 0.00 3.75 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 1.96 0.00 87 L 9.34 4.06 0.00 1.94 1.99 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.79 3.80 0.00 2.26 1.97 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 2.35 2.50 0.00 89 K 8.39 3.86 0.00 2.06 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 90 M 7.78 4.04 0.00 1.88 2.23 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.61 0.00 91 L 7.89 3.99 0.00 1.81 1.75 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.91 4.25 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 93 T 7.61 4.21 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 94 H 8.95 4.73 0.00 3.37 3.50 0.00 5.67 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 95 P 0.00 4.61 0.00 2.29 2.46 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 96 E 8.25 3.93 0.00 2.10 2.22 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 2.35 2.32 0.00 97 R 7.57 3.78 0.00 1.77 1.68 0.00 3.11 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 98 V 7.36 3.46 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 1.11 0.00 0.00 0.92 0.00 0.00 99 L 7.84 4.12 0.00 1.72 1.62 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.98 4.03 0.00 2.22 2.22 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 2.26 2.54 0.00 101 H 8.93 4.18 0.00 3.22 3.53 0.00 5.64 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 7.62 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 0.00 103 V 8.03 3.71 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 0.99 0.00 0.00 0.97 0.00 0.00 104 K 8.98 4.11 0.00 1.29 2.03 0.00 1.31 0.00 0.00 1.37 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.24 7.81 105 G 8.37 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 8.06 4.54 0.00 1.93 2.08 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 2.80 2.56 0.00 107 L 7.24 4.54 0.00 1.86 1.63 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.48 0.00 2.25 2.22 0.00 3.73 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 2.12 2.04 0.00 109 K 8.53 4.00 0.00 1.87 1.97 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.43 7.81 110 G 7.76 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 0.00 111 P 0.00 4.22 0.00 2.02 2.13 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 112 L 8.07 4.15 0.00 1.73 1.68 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.11 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 0.00 114 R 7.92 3.92 0.00 2.01 2.00 0.00 3.25 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 115 R 8.37 4.08 0.00 2.05 1.97 0.00 3.15 0.00 0.00 3.15 7.56 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 7.85 3.88 0.00 1.74 1.66 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.26 4.00 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 0.00 118 K 7.80 3.97 0.00 1.95 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.77 7.81 119 R 7.70 3.50 0.00 1.31 0.66 0.00 2.21 0.00 0.00 2.84 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.00 120 L 6.89 4.28 0.00 1.32 1.26 0.68 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.88 4.24 0.00 1.78 1.63 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.78 7.81 122 V 7.80 4.66 1.87 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 0.79 0.00 0.00 0.82 0.00 0.00 123 Y 9.36 4.77 0.00 2.96 2.81 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 0.00 124 A 7.98 4.68 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 0.00 125 G 8.32 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 0.00 126 P 0.00 4.39 0.00 2.19 2.13 0.00 3.88 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 1.98 1.99 0.00 127 D 8.80 4.26 0.00 2.80 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 0.00 128 H 7.64 3.97 0.00 2.87 3.30 0.00 5.49 0.00 0.00 0.00 0.00 6.82 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 4.19 0.00 2.12 2.10 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 130 H 7.74 5.50 0.00 3.25 3.32 0.00 5.69 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 0.00 131 Q 7.35 4.23 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.30 1.94 0.00 132 A 7.32 4.63 1.01 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 0.00 0.00 133 Q 7.78 4.34 0.00 1.61 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 134 R 7.25 3.77 0.00 1.97 2.17 0.00 3.20 0.00 0.00 3.40 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 135 P 0.00 4.79 0.00 2.10 2.14 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 136 E 8.59 4.74 0.00 2.03 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 2.32 2.44 0.00 137 K 8.66 4.39 0.00 1.69 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 138 L 8.30 4.45 0.00 1.58 1.57 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.38 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.