NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7257 8.6498 118.6135 53.8383 40.0433 172.8388 2 F 4.8669 7.7180 117.5614 55.9917 41.0364 171.1823 3 M 4.9563 10.5991 119.6274 53.4815 36.6486 176.1541 4 L 5.2541 8.4788 119.8332 53.2597 45.0449 175.0324 5 N 5.2984 9.2719 122.1694 51.6450 40.7455 174.1560 6 Q 5.3859 8.7837 121.6089 51.9116 32.5419 173.7561 7 P 4.4012 0.0000 0.0000 63.2685 32.2706 176.1376 8 H 4.4992 8.9671 118.4314 58.9293 29.5919 175.2890 9 S 5.3942 7.7054 110.1725 57.5358 66.3704 173.6078 *11 V 4.4880 8.4932 113.4617 61.7309 33.1605 174.5451 12 S 5.6135 8.2550 115.4025 56.6863 66.1796 172.3621 13 E 4.7771 8.4861 120.7405 55.5260 33.1202 173.8393 14 S 5.0359 8.4323 117.5535 55.9327 65.5437 171.8763 15 P 4.3949 0.0000 0.0000 64.5966 31.2837 176.3839 16 G 3.9279 9.1020 109.8388 45.2199 0.0000 173.7516 17 K 4.3882 7.4765 119.1176 55.9975 34.3516 175.5385 18 T 5.0854 8.2271 117.5050 61.9480 70.3914 174.8487 19 V 4.4733 8.5281 125.0883 60.0817 34.6431 174.5345 20 T 4.8846 8.3997 118.8662 61.7731 71.6313 173.2410 21 I 4.5659 8.4936 126.9041 59.5286 39.5651 175.4048 22 S 5.1803 8.7044 121.7458 57.7661 66.0498 174.1862 23 C 5.0375 9.2468 121.1813 56.2506 45.3283 172.3486 24 T 5.0471 8.9754 124.4355 61.8914 70.4160 173.9779 25 R 4.8011 8.4077 127.6264 55.4741 30.2407 176.5826 26 S 4.5383 9.1302 122.5200 61.0501 63.7951 174.8442 27 S 4.4680 8.0373 112.5580 57.7562 65.4108 174.5062 27A G 3.9752 8.5909 109.6347 45.1212 0.0000 172.5916 27B N 4.7561 8.0762 116.0424 52.1089 39.7700 176.5384 28 I 3.4455 9.0950 123.3041 64.3267 38.0971 177.0736 29 D 4.5513 7.8672 117.1429 55.2246 40.8655 177.1529 30 S 4.2705 7.8795 114.4081 60.2561 63.5054 174.1568 31 N 4.9446 7.3346 116.1256 51.4129 42.5832 173.9424 32 Y 4.5998 8.4841 118.7880 58.4040 38.8802 175.0860 33 V 4.6862 9.2124 123.0816 61.2849 34.2923 174.2426 34 Q 5.0436 9.0080 127.8283 54.0289 32.6043 173.8329 35 W 5.3628 9.1418 124.6449 55.1282 32.7845 174.0607 36 Y 5.4016 9.6433 121.4193 56.3324 41.2431 174.1885 37 Q 4.7819 9.3797 124.5434 54.3938 31.7603 174.0122 38 Q 4.7450 9.0611 127.0882 54.5714 32.4585 174.2898 39 R 4.8376 8.4995 124.6510 53.7603 33.0221 174.0971 40 P 4.2581 0.0000 0.0000 64.5222 31.6193 176.9367 41 G 3.8960 8.9874 110.0582 45.8348 0.0000 172.7111 42 S 4.6846 7.5815 111.9393 55.4003 65.4577 173.7043 43 A 4.1065 8.2958 126.9868 51.2357 18.7769 175.8274 44 P 4.5517 0.0000 0.0000 63.0841 32.1405 175.8062 45 I 4.6195 8.7892 125.5059 59.6016 39.6596 175.2207 46 T 4.2438 8.7653 124.0999 64.0051 68.1950 174.5370 47 V 4.2571 8.8763 119.7199 61.6678 34.1250 176.4073 48 I 5.0457 7.6178 120.7880 59.8025 41.5795 173.7862 49 Y 4.9555 8.6394 124.0306 54.5512 41.9426 174.5618 50 E 3.4158 9.6456 116.6095 57.5393 26.9144 174.9929 51 D 5.2856 9.8237 124.8022 54.9733 40.6474 177.0811 52 N 4.9319 7.5665 109.0138 53.3508 39.5856 173.4694 53 Q 4.1603 7.9499 119.8627 55.2686 30.1559 174.9374 54 R 4.8996 8.3516 123.5676 54.4382 31.2619 174.7820 55 P 4.8757 0.0000 0.0000 62.0379 33.1794 175.7678 56 S 4.0900 8.5169 114.9751 59.9457 63.0964 174.9012 57 G 3.8780 8.9767 111.1535 45.3719 0.0000 172.8691 58 V 4.1497 7.0893 119.7843 60.0781 32.8953 173.9753 59 P 4.5120 0.0000 0.0000 62.7400 31.7882 177.1459 60 D 4.5765 8.6771 120.9131 56.7895 41.1057 177.7852 61 R 4.0501 8.0077 115.3693 57.8146 30.6319 176.0329 62 F 4.8839 8.1322 119.5390 56.4596 40.1010 175.2645 63 A 4.6339 8.9132 125.0766 50.1176 22.3082 174.8999 64 G 4.4276 8.9549 109.0645 43.9622 0.0000 172.6894 65 S 4.9296 8.8590 115.7439 56.8582 67.2410 172.6394 66 I 4.9519 8.3100 120.3283 59.5965 40.3546 174.9400 66A D 4.8056 9.2061 126.9083 52.1882 42.5465 176.3190 66B S 4.1542 8.7321 122.2152 61.1007 63.2480 176.7029 67 S 4.3334 8.0738 113.9988 59.7575 62.8078 174.5948 68 S 4.5522 7.6306 113.3093 56.8327 64.0805 172.9475 69 N 4.1209 8.1917 119.0332 55.0084 37.8031 172.8671 70 S 5.3012 8.2232 109.0410 56.4816 67.5428 172.8718 71 A 5.4124 9.3474 121.5083 50.4849 22.5865 175.4271 72 S 5.2394 9.2094 114.3425 56.8045 67.8840 172.8741 73 L 4.3725 8.0018 125.6365 53.3095 43.9896 174.9916 74 T 4.7421 8.8533 123.2868 61.7503 71.4075 173.0545 75 I 4.5325 8.3939 128.3240 59.4878 39.1031 175.4796 76 S 4.6383 8.5229 122.4455 56.1036 65.2629 173.8524 77 G 3.9007 8.3768 106.5134 45.5714 0.0000 173.8131 78 L 3.9353 7.6736 119.0972 55.4599 43.0375 175.9229 79 K 4.9235 9.1576 124.0530 54.4233 35.8023 177.2283 80 T 3.9021 8.6608 117.8345 66.9236 68.4510 176.5262 81 E 4.1526 8.1446 117.3804 58.8678 29.6838 177.6114 82 D 4.6581 8.0951 118.7889 56.0988 41.0992 175.7621 83 E 4.2720 8.4047 120.5731 56.7285 30.0718 175.7562 84 A 4.3606 8.3557 127.2322 52.0159 22.7924 173.7806 85 D 5.2236 8.1738 118.3330 53.5572 43.0655 175.9943 86 Y 5.1404 8.8971 119.4026 56.5064 41.9171 174.1440 87 Y 5.4160 9.4869 120.8594 56.4349 41.8812 172.6859 88 C 4.3336 9.2691 118.6866 54.4286 41.1742 172.2604 89 Q 4.6375 7.8907 119.6668 55.3728 32.5702 173.5009 90 S 4.4125 8.4291 118.5686 57.0718 66.0059 171.9136 91 Y 5.2986 8.9847 114.9077 56.7536 41.0588 174.8341 92 D 4.9811 8.8740 120.4088 52.5110 40.4976 175.5072 93 A 3.8403 8.0973 120.5377 51.7437 15.2181 177.8419 94 R 5.3519 7.3890 133.3110 57.3017 31.0076 173.5641 95 N 4.7559 7.5999 113.7433 52.2345 42.2493 173.0903 96 V 4.3147 8.2682 124.3894 62.5530 32.8726 175.0658 97 V 4.3606 8.5567 127.2468 61.0704 33.9339 174.0167 98 F 4.9916 8.7331 126.0367 55.3230 39.7597 175.8467 99 G 4.2702 9.1763 110.8592 46.0856 0.0000 174.6501 100 G 3.8532 8.8240 108.4219 46.2882 0.0000 175.2970 101 G 3.6272 8.1670 103.2271 45.8450 0.0000 172.9934 102 T 4.8970 8.3437 116.4512 61.4386 72.4660 173.1482 103 R 4.6953 8.7901 127.5642 55.1617 31.0366 174.6117 104 L 4.9844 9.1090 129.6606 54.1420 43.9523 174.9413 105 T 4.8837 8.9682 124.0217 62.0891 70.7092 173.8266 106 V 4.6107 8.7530 127.1868 61.3348 32.3324 175.7776 107 L 4.1763 9.0647 129.2935 54.7884 42.7485 177.7620 108 G 4.0182 8.7407 108.2427 46.0829 0.0000 173.8904 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 N 8.65 4.73 0.00 2.70 2.80 0.00 0.00 6.80 6.14 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 2 F 7.72 4.87 0.00 3.08 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 3 M 10.60 4.96 0.00 1.96 2.02 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 2.51 2.48 0.00 4 L 8.48 5.25 0.00 1.60 1.55 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 N 9.27 5.30 0.00 2.64 2.74 0.00 0.00 6.34 7.95 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 6 Q 8.78 5.39 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 7 P 0.00 4.40 0.00 2.21 2.09 0.00 3.99 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 2.04 2.03 0.00 8 H 8.97 4.50 0.00 3.13 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.71 5.39 0.00 3.95 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 *11 V 8.49 4.49 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 1.03 0.00 0.00 0.92 0.00 0.00 12 S 8.25 5.61 0.00 3.81 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 13 E 8.49 4.78 0.00 2.04 1.74 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 2.23 2.32 0.00 14 S 8.43 5.04 0.00 3.92 3.95 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 15 P 0.00 4.39 0.00 2.18 2.10 0.00 3.75 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 1.98 1.97 0.00 16 G 9.10 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.48 4.39 0.00 1.70 1.71 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.66 7.81 18 T 8.23 5.09 4.17 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 1.14 0.00 0.00 19 V 8.53 4.47 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 0.62 0.00 0.00 0.85 0.00 0.00 20 T 8.40 4.88 4.17 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 1.12 0.00 0.00 21 I 8.49 4.57 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 1.12 0.00 0.00 22 S 8.70 5.18 0.00 3.97 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 23 C 9.25 5.04 0.00 3.09 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 24 T 8.98 5.05 4.27 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 1.27 0.00 0.00 25 R 8.41 4.80 0.00 1.65 1.68 0.00 2.37 0.00 0.00 2.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.00 26 S 9.13 4.54 0.00 3.97 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 27 S 8.04 4.47 0.00 3.99 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 27A G 8.59 3.98 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 0.00 0.00 0.00 27B N 8.08 4.76 0.00 2.73 2.68 0.00 0.00 6.41 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 28 I 9.10 3.45 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.90 0.00 0.00 29 D 7.87 4.55 0.00 2.64 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 S 7.88 4.27 0.00 3.92 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 31 N 7.33 4.94 0.00 2.91 2.96 0.00 0.00 7.01 7.34 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 32 Y 8.48 4.60 0.00 3.31 2.97 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 33 V 9.21 4.69 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 0.73 0.00 0.00 0.93 0.00 0.00 34 Q 9.01 5.04 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 1.60 2.39 0.00 35 W 9.14 5.36 0.00 3.23 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 36 Y 9.64 5.40 0.00 3.15 2.99 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 0.00 37 Q 9.38 4.78 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.07 1.73 0.00 38 Q 9.06 4.75 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 39 R 8.50 4.84 0.00 1.80 1.82 0.00 3.21 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 40 P 0.00 4.26 0.00 2.04 2.02 0.00 3.77 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 2.04 2.12 0.00 41 G 8.99 3.90 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 0.00 42 S 7.58 4.68 0.00 3.77 3.85 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 43 A 8.30 4.11 1.22 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 0.00 0.00 44 P 0.00 4.55 0.00 1.64 1.84 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 45 I 8.79 4.62 2.02 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 1.25 0.56 0.92 0.00 0.00 46 T 8.77 4.24 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 1.17 0.00 0.00 47 V 8.88 4.26 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 0.37 0.00 0.00 1.13 0.00 0.00 48 I 7.62 5.05 2.15 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 1.45 0.82 1.07 0.00 0.00 49 Y 8.64 4.96 0.00 2.97 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 50 E 9.65 3.42 0.00 1.66 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 1.47 2.10 0.00 51 D 9.82 5.29 0.00 3.00 2.97 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 52 N 7.57 4.93 0.00 2.75 2.94 0.00 0.00 6.00 7.39 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 53 Q 7.95 4.16 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.94 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 54 R 8.35 4.90 0.00 1.70 1.89 0.00 3.52 0.00 0.00 3.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 55 P 0.00 4.88 0.00 2.15 2.27 0.00 3.90 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 56 S 8.52 4.09 0.00 4.01 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 57 G 8.98 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 58 V 7.09 4.15 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 0.69 0.00 0.00 0.86 0.00 0.00 59 P 0.00 4.51 0.00 2.56 2.09 0.00 3.69 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 2.36 2.22 0.00 60 D 8.68 4.58 0.00 2.68 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 61 R 8.01 4.05 0.00 1.79 2.08 0.00 2.90 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.36 0.00 62 F 8.13 4.88 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 63 A 8.91 4.63 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 64 G 8.95 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 0.00 0.00 0.00 0.00 65 S 8.86 4.93 0.00 3.88 3.90 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 66 I 8.31 4.95 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.14 1.01 0.00 0.00 66A D 9.21 4.81 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66B S 8.73 4.15 0.00 4.02 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 67 S 8.07 4.33 0.00 4.04 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 68 S 7.63 4.55 0.00 3.95 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 69 N 8.19 4.12 0.00 2.93 2.81 0.00 0.00 6.68 6.98 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 70 S 8.22 5.30 0.00 4.05 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 71 A 9.35 5.41 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 72 S 9.21 5.24 0.00 3.72 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 73 L 8.00 4.37 0.00 0.27 0.19 0.64 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.85 4.74 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 1.08 0.00 0.00 75 I 8.39 4.53 1.49 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.25 0.19 0.00 0.00 76 S 8.52 4.64 0.00 3.78 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 77 G 8.38 3.90 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 0.00 78 L 7.67 3.94 0.00 1.89 1.53 0.84 0.51 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 79 K 9.16 4.92 0.00 1.80 1.66 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.51 7.81 80 T 8.66 3.90 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 1.23 0.00 0.00 81 E 8.14 4.15 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 2.38 2.44 0.00 82 D 8.10 4.66 0.00 2.86 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 83 E 8.40 4.27 0.00 2.11 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 2.37 2.44 0.00 84 A 8.36 4.36 1.10 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 0.00 0.00 85 D 8.17 5.22 0.00 2.80 2.40 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 86 Y 8.90 5.14 0.00 3.04 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 87 Y 9.49 5.42 0.00 3.29 3.21 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 0.00 0.00 0.00 88 C 9.27 4.33 0.00 1.69 1.18 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 89 Q 7.89 4.64 0.00 1.16 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.49 0.00 0.00 0.00 0.00 0.00 1.86 1.54 0.00 90 S 8.43 4.41 0.00 3.91 3.95 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 91 Y 8.98 5.30 0.00 2.98 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 92 D 8.87 4.98 0.00 2.95 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 93 A 8.10 3.84 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 94 R 7.39 5.35 0.00 1.84 2.08 0.00 3.33 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 1.46 1.41 0.00 95 N 7.60 4.76 0.00 2.71 2.68 0.00 0.00 6.83 7.63 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 96 V 8.27 4.31 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 0.76 0.00 0.00 0.93 0.00 0.00 97 V 8.56 4.36 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 0.80 0.00 0.00 0.19 0.00 0.00 98 F 8.73 4.99 0.00 2.85 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 99 G 9.18 4.27 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 0.00 0.00 0.00 100 G 8.82 3.85 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 0.00 0.00 0.00 101 G 8.17 3.63 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 0.00 0.00 0.00 102 T 8.34 4.90 4.37 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 1.29 0.00 0.00 103 R 8.79 4.70 0.00 1.95 1.84 0.00 3.15 0.00 0.00 3.22 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 104 L 9.11 4.98 0.00 1.90 1.99 0.89 1.02 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 0.00 105 T 8.97 4.88 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 1.29 0.00 0.00 106 V 8.75 4.61 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 1.01 0.00 0.00 107 L 9.06 4.18 0.00 1.63 1.59 0.93 0.59 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 0.00 108 G 8.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.