NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 3.3290 8.1133 120.7238 56.3821 32.1763 177.5556 3 T 3.5426 7.5868 114.1905 65.5478 68.3967 174.6607 4 L 3.9518 8.5445 122.9962 58.3245 42.4185 178.4945 5 L 4.1510 7.7838 118.1390 57.9538 41.6429 179.4274 6 I 3.0220 7.6418 119.5697 64.2857 36.9110 178.7332 7 R 3.9466 8.1243 118.9278 59.3951 29.9180 178.2436 8 Y 2.9240 8.3452 119.6257 60.4433 38.5193 178.0186 9 I 3.1401 7.6196 119.8482 64.3839 37.6047 178.0710 10 L 3.5927 7.7633 119.4273 57.3735 41.4132 179.4593 11 W 4.2627 8.3093 128.4998 60.3967 30.8732 177.7472 12 R 3.1817 8.2537 118.0438 57.9286 29.1029 177.0816 13 N 5.0247 7.9809 117.4568 53.7744 39.4869 175.1679 14 D 4.7279 7.5069 116.0697 51.7845 41.0201 175.5070 15 N 3.4654 8.3738 116.9448 53.9368 38.3846 172.8409 16 D 4.5058 8.1358 116.3775 54.3103 41.5657 176.6937 17 Q 4.2798 9.2076 128.8999 59.5190 29.2256 178.5400 18 T 3.7420 8.3617 107.1779 64.0890 68.6831 174.3569 19 Y 4.7006 7.7244 117.9450 57.8017 38.2742 174.9913 20 Y 3.8875 8.0391 122.1349 57.0027 39.9996 174.0146 21 N 4.0061 5.7700 120.3732 50.8028 41.9259 175.0080 22 D 4.7197 8.1384 126.8826 56.4341 40.6994 178.7646 23 D 4.4725 8.9508 120.4881 57.0115 40.1995 178.3862 24 F 4.3329 7.9874 119.0676 60.2370 38.5207 176.9492 25 K 3.9463 7.6857 118.6509 60.0115 31.9619 178.2596 26 K 4.0552 7.5385 115.8991 59.1616 32.4510 180.2610 27 L 4.0416 7.3855 119.5674 54.2904 40.6753 179.2831 *29 L 4.3139 8.0654 120.1469 54.8695 43.7749 179.3696 30 L 4.0807 7.8851 118.1471 57.2956 41.3072 178.8675 31 D 4.4755 8.3451 118.9375 57.7842 40.4664 178.3844 32 E 3.9772 7.7946 117.6007 59.5283 29.6419 178.5176 33 L 4.1769 7.9180 115.4492 55.7075 41.7530 176.8315 34 V 4.3234 7.7081 119.5581 60.5505 33.1965 174.4094 35 D 4.4957 8.5838 127.0281 53.9803 41.7464 176.3020 36 D 4.6766 8.8374 125.9287 55.8083 40.6616 178.7613 37 G 3.5674 8.0694 108.8123 47.2682 0.0000 175.5709 38 D 4.3601 8.0529 121.6830 56.9224 40.8930 178.7794 39 V 3.5349 7.8301 117.9657 66.3014 31.4589 177.6037 40 S 4.0857 7.9942 112.4991 61.7993 62.0963 176.0693 41 T 3.8126 8.1494 118.4259 66.6884 68.0202 175.7206 42 L 3.8642 8.0814 121.1285 58.7377 42.1126 178.5965 43 I 3.7917 7.9565 118.7892 64.5005 37.1931 177.9395 44 K 4.1134 7.7926 118.9008 59.3852 32.2190 180.3152 45 N 4.5479 7.9810 115.9156 52.8410 39.0059 175.4935 *47 R 4.0225 8.0530 116.4578 56.4125 31.5869 177.4224 *49 T 4.0891 7.9267 107.0202 60.1124 71.1083 173.0851 50 L 3.5749 7.1008 121.0151 54.8136 39.3829 173.2987 51 S 4.4965 7.2084 109.3066 57.4431 65.8968 175.6057 52 D 4.1552 9.0825 121.2600 57.8895 41.2439 181.4430 53 G 3.0691 7.8119 98.4222 42.7682 0.0000 174.9090 54 P 4.2112 0.0000 0.0000 65.3580 32.2009 177.6867 55 L 3.9209 7.7582 118.1533 58.1565 41.8690 178.6894 56 L 3.9174 7.6451 117.7790 57.8224 41.7713 179.0575 57 D 4.4592 8.0556 118.7546 57.4579 40.8821 178.7725 58 R 4.0514 8.0201 119.1060 59.4490 29.8417 178.3591 59 L 4.1627 7.9799 117.4811 56.8171 41.7125 178.0757 60 N 4.6859 7.8584 114.7563 52.8099 39.0447 175.1845 61 Q 4.2198 7.1329 119.3016 55.0236 29.4845 174.3266 62 P 4.4691 0.0000 0.0000 62.3939 32.0432 176.8642 63 V 4.3088 8.0735 118.8542 61.8595 32.8780 174.6202 64 N 5.0058 9.9680 125.3189 52.8159 39.3245 174.8241 65 N 4.9343 7.3067 116.5481 51.7330 40.8847 174.9212 66 I 3.2277 8.2570 120.6046 63.9458 37.9399 177.6059 67 E 3.8653 8.1065 119.9487 59.0816 29.3383 177.9525 68 D 4.3078 8.7401 118.0745 57.4743 41.0182 178.3392 69 A 4.0604 7.2532 119.3123 55.4487 18.6160 179.2631 70 K 4.0406 8.2086 116.8096 59.6367 32.1048 180.1232 71 R 4.2211 7.9236 116.9016 56.7730 29.8497 178.2586 *73 I 4.1630 7.8060 119.3366 60.9262 39.4203 177.9284 74 A 4.0635 8.2734 121.9457 55.3804 18.2466 179.5353 75 I 3.6446 8.4060 117.3782 64.2509 37.9636 178.3492 76 S 4.1445 8.0749 115.4258 61.4523 62.8124 176.1714 77 A 3.7570 8.3375 123.8319 55.2003 18.0974 179.9263 78 K 3.9451 8.4270 117.3451 59.3024 32.0312 179.8556 79 V 3.5457 7.9386 118.3844 66.0459 31.6158 177.7222 80 A 4.2033 8.4706 120.8976 55.4422 17.7452 179.5631 81 R 4.2523 7.7189 118.2677 59.3452 30.1161 178.4920 82 D 4.4155 8.3487 117.7567 56.5679 40.9276 178.2670 83 I 3.8353 7.8957 119.6208 62.4267 38.3659 175.6251 84 G 4.1793 6.6875 106.5707 44.0907 0.0000 173.5740 85 E 4.4377 8.5380 121.4487 57.3629 30.0305 177.5517 86 R 4.1866 7.8546 115.2167 56.8076 30.5153 176.3999 87 S 4.2248 7.8454 115.2772 58.3760 62.7731 175.0118 88 E 4.2585 8.5241 126.6735 55.6126 27.1688 174.5871 89 I 4.0632 7.2909 121.3106 59.1054 39.5611 177.7620 90 R 4.2454 7.8918 126.1055 54.2487 28.1076 176.8287 91 W 3.9315 8.1054 123.7823 59.5338 29.3781 177.2815 92 E 4.2650 8.3770 118.0659 59.5621 28.8851 179.0811 93 E 4.0394 8.0149 118.0424 59.6214 29.5029 179.5232 94 S 4.0032 7.7666 114.5297 61.7233 62.8842 176.7404 95 F 4.0211 7.9083 120.4263 60.5370 38.3339 177.8679 96 T 3.9642 7.7258 114.7440 66.7058 68.7115 176.4847 97 I 3.8444 7.6898 121.5009 64.2970 36.9885 177.9149 98 L 3.9462 7.7734 120.0327 58.6975 42.1000 178.9899 99 F 4.9478 8.3784 117.5328 60.1500 38.5768 177.9498 100 R 4.0692 7.5328 114.4422 57.1784 29.8855 177.0886 *102 I 4.2696 7.6720 110.0692 59.5001 39.7912 176.5505 103 E 2.0000 8.3460 123.1745 59.6574 28.9634 178.7554 104 T 3.7875 7.6259 110.9820 64.5975 67.3274 174.5918 105 Y 4.5173 8.1325 117.6253 58.0389 37.7777 177.0177 106 F 4.6865 7.7806 119.4715 61.0656 39.1305 176.5625 107 D 4.6760 8.3406 117.1760 58.1269 41.0408 178.8879 108 D 4.6354 8.2056 118.2985 56.9820 40.7774 178.9474 109 L 4.3239 8.3054 118.2059 55.1456 41.0161 179.2373 *111 I 4.1025 7.6975 120.4414 61.5605 38.9216 177.7106 112 D 4.0951 8.4613 118.3895 56.6569 41.1763 177.0339 113 L 4.1246 7.9097 117.7078 55.5385 42.6937 175.3259 114 Y 4.6673 7.0328 114.0808 56.4556 41.3120 175.5332 *115 G 3.7274 8.6615 109.2529 46.6980 0.0000 172.7170 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 2 R 8.11 3.33 0.00 1.54 1.72 0.00 3.08 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.00 3 T 7.59 3.54 4.13 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 0.00 0.00 0.00 1.15 0.00 0.00 4 L 8.54 3.95 0.00 1.66 1.57 1.06 0.61 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 5 L 7.78 4.15 0.00 1.93 2.03 1.09 1.03 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 6 I 7.64 3.02 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.72 0.68 0.00 0.00 7 R 8.12 3.95 0.00 2.12 2.27 0.00 3.29 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 1.74 1.66 0.00 8 Y 8.35 2.92 0.00 2.52 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.62 3.14 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.21 0.51 0.00 0.00 10 L 7.76 3.59 0.00 1.78 1.55 0.88 0.25 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 11 W 8.31 4.26 0.00 3.64 3.34 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 12 R 8.25 3.18 0.00 1.42 1.50 0.00 3.02 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 13 N 7.98 5.02 0.00 2.38 2.59 0.00 0.00 6.98 8.08 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 14 D 7.51 4.73 0.00 2.78 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 15 N 8.37 3.47 0.00 2.57 2.84 0.00 0.00 7.08 8.37 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 16 D 8.14 4.51 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 9.21 4.28 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 18 T 8.36 3.74 3.99 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 0.00 0.00 1.15 0.00 0.00 19 Y 7.72 4.70 0.00 3.32 3.14 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 20 Y 8.04 3.89 0.00 2.85 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 21 N 5.77 4.01 0.00 2.04 1.42 0.00 0.00 6.93 8.49 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 22 D 8.14 4.72 0.00 2.64 2.67 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 23 D 8.95 4.47 0.00 2.42 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 24 F 7.99 4.33 0.00 2.57 3.13 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 0.00 0.00 0.00 0.00 25 K 7.69 3.95 0.00 2.04 1.88 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.63 7.81 26 K 7.54 4.06 0.00 1.74 1.47 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 L 7.39 4.04 0.00 1.05 0.85 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *29 L 8.07 4.31 0.00 2.04 1.74 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.89 4.08 0.00 1.86 1.77 0.93 0.90 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 31 D 8.35 4.48 0.00 2.82 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 32 E 7.79 3.98 0.00 1.89 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 2.37 2.44 0.00 33 L 7.92 4.18 0.00 1.64 1.72 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.71 4.32 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 0.78 0.00 0.00 0.97 0.00 0.00 35 D 8.58 4.50 0.00 2.80 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 36 D 8.84 4.68 0.00 2.81 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 37 G 8.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.05 4.36 0.00 2.79 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 39 V 7.83 3.53 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 1.06 0.00 0.00 0.94 0.00 0.00 40 S 7.99 4.09 0.00 4.01 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 41 T 8.15 3.81 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 L 8.08 3.86 0.00 1.77 1.90 0.91 1.13 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 43 I 7.96 3.79 2.02 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 1.58 0.91 0.90 0.00 0.00 44 K 7.79 4.11 0.00 1.85 2.02 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 45 N 7.98 4.55 0.00 2.82 2.80 0.00 0.00 7.09 7.51 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 *47 R 8.05 4.02 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 *49 T 7.93 4.09 4.20 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 0.00 0.00 0.00 1.20 0.00 0.00 50 L 7.10 3.57 0.00 1.89 1.70 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.21 4.50 0.00 3.84 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 52 D 9.08 4.16 0.00 2.67 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 53 G 7.81 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 0.00 0.00 0.00 54 P 0.00 4.21 0.00 2.12 2.11 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 55 L 7.76 3.92 0.00 1.68 1.74 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.65 3.92 0.00 1.81 1.67 0.83 0.82 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 57 D 8.06 4.46 0.00 2.86 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 58 R 8.02 4.05 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 59 L 7.98 4.16 0.00 1.77 1.70 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.86 4.69 0.00 2.91 2.85 0.00 0.00 7.00 7.30 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 61 Q 7.13 4.22 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 62 P 0.00 4.47 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.59 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 63 V 8.07 4.31 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 0.65 0.00 0.00 0.93 0.00 0.00 64 N 9.97 5.01 0.00 2.63 2.86 0.00 0.00 6.86 7.88 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 65 N 7.31 4.93 0.00 2.96 2.91 0.00 0.00 6.36 7.78 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 66 I 8.26 3.23 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.92 0.00 0.00 67 E 8.11 3.87 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 2.37 2.44 0.00 68 D 8.74 4.31 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.25 4.06 1.11 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 0.00 0.00 70 K 8.21 4.04 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 71 R 7.92 4.22 0.00 2.09 1.91 0.00 3.12 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *73 I 7.81 4.16 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.13 0.00 0.00 74 A 8.27 4.06 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 75 I 8.41 3.64 1.89 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 1.53 1.21 0.97 0.00 0.00 76 S 8.07 4.14 0.00 4.14 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.34 3.76 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 78 K 8.43 3.95 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 79 V 7.94 3.55 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 1.13 0.00 0.00 1.05 0.00 0.00 80 A 8.47 4.20 1.12 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 0.00 0.00 81 R 7.72 4.25 0.00 1.83 2.05 0.00 3.09 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 82 D 8.35 4.42 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.90 3.84 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 1.10 0.00 0.00 84 G 6.69 4.18 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 0.00 0.00 0.00 85 E 8.54 4.44 0.00 2.03 1.98 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 2.29 2.28 0.00 86 R 7.85 4.19 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 87 S 7.85 4.22 0.00 3.89 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 88 E 8.52 4.26 0.00 1.91 1.86 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 2.29 2.32 0.00 89 I 7.29 4.06 0.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 -0.63 0.00 0.00 90 R 7.89 4.25 0.00 1.69 1.88 0.00 3.35 0.00 0.00 3.37 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 91 W 8.11 3.93 0.00 3.39 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 92 E 8.38 4.27 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 93 E 8.01 4.04 0.00 2.01 1.92 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 2.30 2.30 0.00 94 S 7.77 4.00 0.00 3.64 3.75 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 95 F 7.91 4.02 0.00 3.23 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 96 T 7.73 3.96 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 97 I 7.69 3.84 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.90 0.00 0.00 98 L 7.77 3.95 0.00 1.57 1.71 1.03 1.08 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 99 F 8.38 4.95 0.00 3.22 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 0.00 100 R 7.53 4.07 0.00 2.12 2.09 0.00 3.32 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 *102 I 7.67 4.27 2.05 0.00 0.00 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 1.87 1.31 1.00 0.00 0.00 103 E 8.35 2.00 0.00 2.03 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 2.11 1.91 0.00 104 T 7.63 3.79 4.10 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 0.00 0.00 0.00 0.88 0.00 0.00 105 Y 8.13 4.52 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 7.78 4.69 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.34 4.68 0.00 2.69 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 0.00 108 D 8.21 4.64 0.00 2.84 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 0.00 109 L 8.31 4.32 0.00 2.10 1.78 1.17 0.71 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 *111 I 7.70 4.10 2.08 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 1.33 0.90 0.94 0.00 0.00 112 D 8.46 4.10 0.00 2.76 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 0.00 113 L 7.91 4.12 0.00 1.43 0.36 0.82 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.03 4.67 0.00 2.77 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 *115 G 8.66 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 * Residues marked with a * may have inaccurate shift predictions.