NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 K 4.3049 8.3149 122.1399 54.3363 33.4794 174.8576 -6 I 4.1796 8.0908 123.7377 59.3181 38.4271 173.6475 -5 H 4.4224 8.8916 122.1415 55.0551 30.3708 174.0188 -4 H 4.6960 8.6653 124.1534 54.6649 30.5692 172.2952 -3 H 4.7404 8.6708 124.3092 54.7454 29.9107 174.6255 -2 H 4.8071 8.8156 121.0631 54.6840 30.3808 175.5009 -1 H 4.7695 8.4420 124.8050 54.4963 27.0645 176.4739 0 H 4.3172 7.8893 116.2484 55.8843 28.4461 176.8813 -5 E 4.0424 8.8916 124.1415 56.6551 31.2708 176.5188 -4 E 4.3160 8.6653 126.1534 56.2649 31.4692 174.7952 -3 L 4.3504 8.4108 127.9092 54.8454 43.3107 178.1255 -2 L 4.4171 8.5556 124.6631 54.7840 43.7808 179.0009 -1 D 4.6795 8.3620 127.0050 53.6963 39.1645 178.6739 0 I 3.7572 7.4693 117.9484 61.9843 38.2461 179.1812 8 L 4.1702 7.8043 119.0711 57.9607 41.4072 179.6264 9 R 4.1604 8.0802 117.3917 59.4400 30.0965 178.8063 10 E 3.9788 8.2436 117.8241 59.2995 29.6883 179.0584 11 F 4.0023 8.2643 120.1226 61.1888 39.6194 176.7865 12 R 4.0216 8.4833 118.3289 59.9007 29.9384 178.2818 13 D 4.3557 8.4097 118.6952 57.2759 40.6182 178.9798 14 S 4.0974 7.9272 114.8330 60.5706 62.8282 175.7667 15 R 3.9539 6.7864 117.0942 54.2079 30.6241 175.9974 16 G 3.9135 7.4940 106.8290 46.9147 0.0000 174.9781 17 W 5.1941 8.0072 117.0682 56.3478 29.9175 177.2587 18 L 3.8791 7.9410 122.0102 57.9895 41.2795 178.6787 19 K 3.8839 7.9983 117.2425 59.7109 32.4051 177.8172 20 Y 4.3754 7.7159 116.4859 59.3012 39.2304 175.6516 21 H 4.7100 8.0443 119.3476 55.2781 27.9828 175.8958 22 T 4.2420 7.4105 111.4579 60.6773 71.4789 173.3629 23 P 4.2513 0.0000 0.0000 65.8685 31.3999 178.9532 24 K 3.9462 7.9859 117.7684 59.5393 32.1853 178.4011 25 N 4.3225 8.0594 116.3879 56.3079 38.3641 177.4456 26 L 3.8946 8.0722 120.1841 57.5667 41.7665 179.2857 27 A 3.9631 8.1598 120.8805 55.1741 18.2520 179.8707 28 V 3.5098 8.1794 117.1710 66.2011 31.5546 178.4941 29 S 3.7569 7.9116 114.9688 61.3729 62.3765 176.7465 30 I 3.7749 7.8726 122.7499 64.3200 36.7942 178.3315 31 S 4.0539 8.0762 113.9758 61.4280 62.0775 176.2764 32 I 3.6661 7.8350 122.4537 64.5635 36.8686 178.3605 33 E 4.0484 8.1930 119.3651 59.4801 29.2452 179.8183 34 V 3.6737 8.1717 112.5165 64.3352 31.5188 178.4961 35 A 4.0651 7.9148 120.2421 55.0405 17.9405 179.5536 36 E 3.9286 7.7602 116.4835 59.1638 29.6345 179.0074 37 L 4.1302 7.9044 120.6668 58.1879 42.2197 178.9920 38 L 4.0876 8.3533 119.4318 57.7737 41.5844 178.9548 39 E 3.8686 8.3988 119.3585 59.4259 29.2031 178.9324 40 I 3.5513 7.2873 119.1884 63.4923 37.3966 177.3345 41 F 4.6813 7.7860 116.1263 57.0528 38.8725 177.2467 42 Q 3.4623 7.2790 120.4088 58.8969 28.8269 178.3446 43 W 4.9991 7.7096 114.5153 56.4210 29.4839 176.6404 44 T 4.3153 7.7441 109.1910 62.2104 68.5386 174.2789 45 R 4.6960 9.0408 121.7268 55.3906 31.5476 176.0482 46 S 4.6567 7.5837 111.5096 56.3803 66.4192 175.7656 47 S 4.1557 8.6617 119.7320 61.9863 62.0780 176.7085 48 D 4.5434 8.1939 120.9744 57.6536 40.6570 178.4877 49 E 4.0933 8.3092 119.5750 59.1784 29.4948 178.6023 50 E 4.1426 8.3071 118.9127 59.5766 29.5126 179.3425 51 F 4.1980 8.1361 117.5503 60.1786 38.9265 177.7505 52 E 4.0901 8.0001 117.8259 59.2784 29.1960 179.4060 53 V 3.5904 8.1262 118.4785 65.7070 31.3754 177.6777 54 L 4.0806 8.3506 121.9900 59.0146 41.9989 179.2617 55 E 4.2047 8.0643 116.8003 61.3276 29.7884 180.8233 56 R 4.3720 7.9924 118.2381 57.8747 30.5299 177.6438 57 R 4.6471 8.1465 118.1465 55.1639 31.2526 177.9312 58 K 4.0689 8.3782 121.1520 59.6284 32.2683 177.6522 59 G 3.6186 8.0669 105.5241 47.8900 0.0000 175.3841 60 E 3.9794 8.0508 120.4969 59.0124 29.5316 179.4046 61 V 3.5777 7.7000 118.2485 65.9214 31.6425 177.5576 62 E 3.9084 8.4161 119.3212 59.3562 29.3615 178.4738 63 E 3.9222 8.0852 118.9642 59.4479 29.7174 178.7021 64 E 4.0026 8.1862 118.4434 59.1935 29.4774 179.3721 65 I 3.7022 8.0349 119.9741 64.2338 37.1633 178.2306 66 A 3.9554 8.0472 121.5706 55.2627 18.2911 179.4111 67 D 4.2170 8.3199 117.5737 57.3847 40.9143 179.1419 68 V 3.6723 7.9485 118.7231 66.0414 31.5056 177.8613 69 L 3.9430 8.0254 119.9685 58.0713 41.8935 178.5667 70 I 3.3926 8.0173 120.1824 64.9705 37.1117 178.0588 71 Y 4.5170 7.7422 116.5714 60.9204 37.6513 178.3726 72 L 4.0597 8.1603 121.5832 58.2033 42.2296 179.0896 73 L 4.0360 8.3347 119.3912 57.6791 41.5667 179.3951 74 F 4.5870 8.3373 117.9987 60.5368 38.7442 177.4985 75 L 4.0645 8.3233 120.0518 58.3796 41.8578 178.6544 76 C 4.1374 8.3103 116.7690 62.8416 27.8844 175.7532 77 D 4.3315 8.3471 119.5052 57.5231 40.7179 178.5533 78 V 3.6497 7.7187 117.0291 65.5547 31.6597 177.0114 79 A 4.2715 8.3898 118.3001 51.3018 19.6941 176.4672 80 E 3.7618 7.6598 116.1120 57.6881 27.5449 174.8824 81 I 4.3710 7.9810 117.9657 59.3867 40.0382 176.2688 82 N 4.6578 8.5665 123.5403 51.9793 39.5137 173.9147 83 P 4.3219 0.0000 0.0000 65.7563 31.5130 178.5342 84 I 3.7477 7.9696 121.7747 65.0160 37.1679 178.6909 85 E 4.0198 8.3628 118.5134 60.8268 29.5218 180.7306 86 A 4.1833 8.1082 121.4115 55.1059 18.2497 179.9157 87 V 3.5221 7.6653 115.3934 66.1886 31.7328 177.9555 88 K 4.0800 7.7757 116.7720 59.5703 32.2292 179.2626 89 R 4.1219 8.0659 118.2081 58.9098 30.0071 180.0754 90 K 4.0603 7.9779 118.5358 56.7067 31.7589 178.4152 *92 E 4.2831 8.2010 118.8475 55.8287 31.8853 178.3078 93 K 3.9898 8.0453 119.1217 59.6387 32.1306 178.6626 94 N 4.3768 8.6163 117.1907 56.3534 37.8708 177.2443 95 E 3.9749 8.1191 119.5945 59.4486 29.3761 179.3545 96 R 4.1161 7.6731 118.5891 59.3560 30.2601 179.3910 97 K 4.3044 7.8893 122.7032 58.0959 33.1679 180.1216 *98 Y 4.7612 7.7065 117.2800 55.3222 37.2129 173.6707 99 P 4.7148 0.0000 0.0000 61.1789 32.7605 177.0201 100 K 4.1681 8.4198 118.2742 56.9427 31.9653 177.2969 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 -7 K 8.31 4.30 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 -6 I 8.09 4.18 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 1.42 1.11 0.92 0.00 0.00 -5 H 8.89 4.42 0.00 3.19 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.67 4.70 0.00 3.06 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.67 4.74 0.00 3.21 3.30 0.00 5.72 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 -2 H 8.82 4.81 0.00 3.02 3.01 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.44 4.77 0.00 3.09 3.25 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.89 4.32 0.00 3.18 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 E 8.89 4.04 0.00 1.96 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 2.28 2.23 0.00 -4 E 8.67 4.32 0.00 1.83 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 2.17 2.22 0.00 -3 L 8.41 4.35 0.00 1.54 1.76 0.92 1.10 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 -2 L 8.56 4.42 0.00 1.35 1.47 0.92 1.09 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 -1 D 8.36 4.68 0.00 2.52 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 0 I 7.47 3.76 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 1.41 0.74 0.91 0.00 0.00 8 L 7.80 4.17 0.00 1.69 1.14 0.49 0.47 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 9 R 8.08 4.16 0.00 2.07 2.07 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 10 E 8.24 3.98 0.00 2.29 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 0.00 2.42 2.52 0.00 11 F 8.26 4.00 0.00 3.17 3.32 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 12 R 8.48 4.02 0.00 2.25 2.27 0.00 3.04 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 1.57 1.37 0.00 13 D 8.41 4.36 0.00 2.79 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 14 S 7.93 4.10 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 15 R 6.79 3.95 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.85 0.00 16 G 7.49 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 17 W 8.01 5.19 0.00 3.32 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 18 L 7.94 3.88 0.00 1.89 1.66 0.96 0.64 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 19 K 8.00 3.88 0.00 1.72 1.81 0.00 1.32 0.00 0.00 1.55 0.00 0.00 3.15 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.16 0.63 7.81 20 Y 7.72 4.38 0.00 3.14 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 21 H 8.04 4.71 0.00 3.31 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.41 4.24 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 P 0.00 4.25 0.00 2.19 2.17 0.00 3.61 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 2.13 2.17 0.00 24 K 7.99 3.95 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 25 N 8.06 4.32 0.00 3.09 2.83 0.00 0.00 7.05 6.08 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 26 L 8.07 3.89 0.00 1.73 1.78 1.06 0.49 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 27 A 8.16 3.96 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 V 8.18 3.51 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 1.02 0.00 0.00 0.94 0.00 0.00 29 S 7.91 3.76 0.00 3.38 2.63 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 0.00 30 I 7.87 3.77 1.99 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 1.54 0.90 0.95 0.00 0.00 31 S 8.08 4.05 0.00 3.87 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 32 I 7.84 3.67 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.28 0.88 0.00 0.00 33 E 8.19 4.05 0.00 2.10 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 0.00 2.67 2.87 0.00 34 V 8.17 3.67 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 0.84 0.00 0.00 0.99 0.00 0.00 35 A 7.91 4.07 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 36 E 7.76 3.93 0.00 2.17 2.03 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 2.34 2.54 0.00 37 L 7.90 4.13 0.00 1.81 1.92 1.02 0.69 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 38 L 8.35 4.09 0.00 1.92 1.67 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.40 3.87 0.00 2.13 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 2.41 2.48 0.00 40 I 7.29 3.55 1.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.20 0.00 0.00 41 F 7.79 4.68 0.00 2.99 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 42 Q 7.28 3.46 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 7.22 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 43 W 7.71 5.00 0.00 3.33 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 44 T 7.74 4.32 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 1.40 0.00 0.00 45 R 9.04 4.70 0.00 1.80 1.98 0.00 3.25 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 46 S 7.58 4.66 0.00 4.17 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 0.00 47 S 8.66 4.16 0.00 3.98 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 0.00 48 D 8.19 4.54 0.00 2.82 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 49 E 8.31 4.09 0.00 2.12 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 2.41 0.00 50 E 8.31 4.14 0.00 2.08 1.70 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 2.33 2.56 0.00 51 F 8.14 4.20 0.00 3.08 3.10 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 0.00 52 E 8.00 4.09 0.00 2.29 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 2.41 2.67 0.00 53 V 8.13 3.59 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 0.79 0.00 0.00 1.03 0.00 0.00 54 L 8.35 4.08 0.00 1.94 2.05 1.04 1.04 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 55 E 8.06 4.20 0.00 2.13 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 2.26 2.22 0.00 56 R 7.99 4.37 0.00 1.98 2.01 0.00 3.07 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 57 R 8.15 4.65 0.00 1.78 1.85 0.00 3.06 0.00 0.00 2.94 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 58 K 8.38 4.07 0.00 1.95 1.82 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.55 7.81 59 G 8.07 3.62 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 0.00 0.00 0.00 60 E 8.05 3.98 0.00 2.12 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 2.37 2.33 0.00 61 V 7.70 3.58 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 1.11 0.00 0.00 0.98 0.00 0.00 62 E 8.42 3.91 0.00 2.33 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 2.31 2.20 0.00 63 E 8.09 3.92 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 2.30 2.34 0.00 64 E 8.19 4.00 0.00 2.07 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 2.54 2.61 0.00 65 I 8.03 3.70 2.08 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 1.47 0.83 0.91 0.00 0.00 66 A 8.05 3.96 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 67 D 8.32 4.22 0.00 2.89 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 68 V 7.95 3.67 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 1.02 0.00 0.00 1.06 0.00 0.00 69 L 8.03 3.94 0.00 1.78 1.73 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.02 3.39 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.39 0.50 0.00 0.00 71 Y 7.74 4.52 0.00 3.11 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 72 L 8.16 4.06 0.00 1.96 1.84 0.95 0.55 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 73 L 8.33 4.04 0.00 1.64 1.58 0.82 0.93 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 74 F 8.34 4.59 0.00 3.34 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 75 L 8.32 4.06 0.00 1.95 1.93 1.02 0.78 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 76 C 8.31 4.14 0.00 3.23 3.17 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 77 D 8.35 4.33 0.00 3.04 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 78 V 7.72 3.65 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 0.95 0.00 0.00 1.06 0.00 0.00 79 A 8.39 4.27 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 80 E 7.66 3.76 0.00 2.09 2.03 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 2.28 2.29 0.00 81 I 7.98 4.37 1.89 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 1.20 0.79 0.92 0.00 0.00 82 N 8.57 4.66 0.00 2.75 2.71 0.00 0.00 6.97 7.71 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 83 P 0.00 4.32 0.00 2.30 2.30 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 84 I 7.97 3.75 1.96 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 1.59 0.78 0.91 0.00 0.00 85 E 8.36 4.02 0.00 2.01 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 2.24 2.20 0.00 86 A 8.11 4.18 1.41 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 87 V 7.67 3.52 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 0.87 0.00 0.00 0.95 0.00 0.00 88 K 7.78 4.08 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.63 7.81 89 R 8.07 4.12 0.00 2.14 1.97 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 90 K 7.98 4.06 0.00 1.88 1.88 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 *92 E 8.20 4.28 0.00 2.34 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 2.30 2.31 0.00 93 K 8.05 3.99 0.00 1.85 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 94 N 8.62 4.38 0.00 2.73 2.85 0.00 0.00 7.06 7.32 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 95 E 8.12 3.97 0.00 2.29 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 2.40 1.97 0.00 96 R 7.67 4.12 0.00 1.95 1.98 0.00 3.16 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 97 K 7.89 4.30 0.00 1.90 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.34 7.81 *98 Y 7.71 4.76 0.00 2.56 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 0.00 0.00 0.00 99 P 0.00 4.71 0.00 2.04 1.98 0.00 3.73 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 2.02 2.24 0.00 100 K 8.42 4.17 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.