NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2880 8.3144 120.1308 56.0816 33.2585 174.5350 3 K 4.4475 8.5379 124.4852 53.2824 34.6672 169.4474 4 V 3.8139 9.3041 128.0769 63.2305 32.2940 175.3554 5 V 4.2227 8.4199 120.9320 62.5281 33.0458 176.0689 6 A 4.4715 7.3397 119.7234 50.5902 22.5785 175.4407 7 V 4.5397 8.2535 120.0336 61.1888 33.9589 174.7868 8 V 4.2535 8.8403 129.2769 61.1368 33.4136 174.3470 9 K 4.9363 8.6100 127.3874 54.8329 33.7005 175.5063 10 L 4.9111 8.8591 124.2833 52.8641 46.2817 175.4545 11 Q 5.0203 8.4895 118.1841 54.3403 31.7945 175.0301 12 L 4.9745 8.8887 123.2224 51.8098 46.5913 173.9770 13 P 4.8815 0.0000 0.0000 62.2483 32.5587 175.6680 14 A 4.0550 8.8366 127.8166 53.9740 18.6020 177.8255 15 G 3.9423 8.8603 109.9956 46.0376 0.0000 174.1349 16 K 4.6077 8.2285 116.6780 55.5971 33.6594 176.3561 17 A 4.0757 8.6694 122.5563 52.5703 18.6544 177.6619 18 T 4.7514 7.9324 110.1940 59.0321 72.1403 172.1514 19 P 4.3715 0.0000 0.0000 63.4272 32.0963 176.1515 20 A 4.1628 7.3643 122.8231 51.2178 18.9755 175.1178 21 P 4.5101 0.0000 0.0000 62.3973 31.9573 176.1032 22 P 4.3934 0.0000 0.0000 64.5609 31.5552 178.7602 23 V 3.4666 7.7004 118.7194 66.3330 31.4362 177.1844 24 G 3.9501 8.1096 105.9822 47.1673 0.0000 173.5489 25 P 4.1726 0.0000 0.0000 64.9747 31.2580 178.4095 26 A 3.8869 7.7943 119.7083 54.7798 18.5898 179.2246 27 L 4.0619 7.9773 117.5717 57.4826 41.8818 179.6688 28 G 3.6164 8.1694 105.8577 47.8207 0.0000 175.2219 29 Q 3.9311 7.8452 120.8717 58.6508 28.9473 177.4759 30 H 4.8730 7.7555 113.9541 54.6783 29.3273 175.0449 31 G 3.8595 7.9478 108.1527 45.8904 0.0000 174.2852 32 A 4.4243 7.6260 120.8683 50.9868 19.0517 178.9522 33 N 4.5906 8.8035 118.7467 53.2251 38.4183 175.7933 34 I 3.6516 8.1980 128.6006 64.5651 37.4594 177.5428 35 M 4.0423 8.1326 118.2389 58.6683 32.0636 177.6226 36 E 4.0511 8.6821 119.4703 59.1665 29.8167 178.5070 37 F 4.2572 8.5706 120.7034 61.3434 39.3869 176.8410 38 V 3.3148 8.0706 118.2051 66.1265 31.1353 178.0919 39 K 3.9089 8.0913 117.3999 59.4870 31.8667 179.3233 40 A 4.0340 8.1539 121.0362 54.9850 18.4713 179.2817 41 F 3.6429 8.1590 119.4725 61.5508 39.1017 177.2105 42 N 4.1927 8.1482 114.5425 56.0148 38.0688 176.9977 43 A 4.0739 8.2212 122.2371 55.2109 18.3240 179.6081 44 A 4.1130 8.1746 118.1736 54.0534 18.4141 178.2486 45 T 4.3467 6.9977 106.3246 61.2469 69.1003 175.5899 46 A 4.0522 7.6535 127.1640 55.6385 18.4405 178.9584 47 N 4.8761 7.9421 111.3532 53.8273 38.8639 175.3481 48 M 4.5305 7.9404 115.9656 54.3365 33.8228 176.9017 49 G 3.9913 7.8400 107.1178 47.2991 0.0000 174.6814 50 D 4.9032 8.6145 120.5349 53.8263 41.6892 176.3276 51 A 4.3663 7.3386 119.1733 51.4088 19.7424 177.7466 52 I 4.1734 6.8185 120.6318 60.8496 38.8067 175.2022 53 V 4.5171 8.8609 127.4338 60.2731 33.8415 172.9485 54 P 4.9678 0.0000 0.0000 62.7485 32.6232 176.0382 55 V 5.1335 9.1410 123.2600 60.1045 35.3674 173.5851 56 E 5.0128 9.5619 125.4207 54.6040 32.1849 174.2759 57 I 5.0196 9.1118 128.8909 60.1065 39.5645 174.7628 58 T 4.8650 9.3438 124.6737 62.0002 70.4219 173.5944 59 I 4.8948 8.3641 127.6912 59.7561 40.4720 174.9080 60 Y 5.2162 8.9255 123.4219 56.0231 40.7535 176.5971 61 A 4.2068 8.3612 119.9081 54.2450 18.5360 178.1164 62 D 4.7906 8.2186 113.9261 52.9598 39.4818 177.6542 63 R 4.2729 8.2376 119.7441 56.3156 29.4014 176.3864 64 S 4.5844 8.0981 113.1517 58.8985 64.1822 173.1513 65 F 5.7264 8.1313 114.6660 56.3920 40.8350 172.8017 66 T 5.1005 9.3698 109.2916 60.1379 72.4982 172.5249 67 F 5.7036 8.5582 115.6930 55.4061 41.5182 173.7955 68 V 4.5670 8.9754 119.9454 61.4219 34.2445 174.5252 69 T 5.1787 8.7603 117.4468 60.6348 70.9640 173.6564 70 K 4.7609 8.7931 122.7464 54.6269 35.5222 175.5827 71 T 4.2197 8.3562 114.8958 60.9427 68.0076 172.5316 72 P 4.6080 0.0000 0.0000 61.2897 32.3257 175.1887 73 P 4.3584 0.0000 0.0000 62.6892 33.0797 177.2859 74 A 4.0566 8.7751 124.1078 55.6513 18.3674 180.2164 75 S 4.1096 8.1922 112.0219 61.8755 62.9636 175.9944 76 Y 4.0557 7.9369 122.4511 60.3510 38.6475 177.8332 77 L 3.8506 7.9806 119.6184 57.8493 41.6714 179.2316 78 I 3.6677 7.7438 119.6903 64.6716 37.2232 178.6405 79 R 3.8484 7.7785 118.3581 59.1850 29.7011 179.1371 80 K 3.7671 7.8276 119.1654 59.3275 31.9137 178.7169 81 A 3.9923 7.9741 119.7184 54.0700 18.3454 178.3528 82 A 4.4395 7.4151 117.3594 51.6768 19.3745 178.1254 83 G 3.8213 7.7231 106.4257 45.2321 0.0000 174.1287 84 L 4.0893 7.4960 120.2852 54.6337 41.5605 176.2084 85 E 4.7580 8.2926 120.8237 54.1238 32.8546 174.9782 86 K 4.2671 8.2380 118.6687 56.7452 34.7657 175.8518 87 G 3.9560 9.0176 109.4707 45.7879 0.0000 175.8723 88 A 4.2018 8.5352 123.7978 51.7757 17.6792 180.5731 89 H 4.6445 7.6983 119.1242 54.8134 28.4519 175.7216 90 K 4.6653 8.1263 123.5624 53.1286 34.4902 174.9610 91 P 4.2339 0.0000 0.0000 64.6061 31.8397 177.2108 92 G 3.8303 8.6309 105.3895 44.1064 0.0000 172.8023 93 R 3.9876 8.3876 118.4797 56.9886 30.5937 175.8918 94 E 4.6819 8.3584 120.2514 54.5539 33.3859 175.1818 95 K 4.2199 8.5482 123.0808 55.5150 33.0532 176.9460 96 V 3.8377 8.2957 123.2959 63.1892 32.6219 174.8555 97 G 4.3482 8.4446 109.8602 44.9534 0.0000 172.9893 98 R 5.3023 7.9972 116.0031 56.1358 31.8456 173.6781 *106 E 4.2291 9.1839 124.7087 56.2416 31.9863 177.1937 107 I 3.7993 7.7149 119.5342 64.1500 37.7623 178.0190 108 A 4.0321 8.0062 121.4575 55.2068 18.0011 179.6586 109 K 4.0060 7.8817 115.5173 59.4447 32.3708 178.9894 110 Q 4.1242 8.1174 119.1448 58.0640 29.0891 177.1663 111 K 4.4508 7.7998 116.8315 56.1139 33.0491 176.8962 112 M 4.1429 7.8728 119.8682 58.1200 32.5585 175.7789 113 P 4.5122 0.0000 0.0000 62.2141 29.2599 175.0325 *120 L 4.4880 7.6662 124.2057 55.0408 45.2326 176.2449 121 E 4.6510 7.4461 115.4027 55.9467 29.3593 179.1703 122 A 4.2766 8.6275 113.9587 51.5520 16.2157 177.2077 123 A 4.2534 7.7481 122.7312 52.1201 19.8676 179.4634 124 A 4.1358 7.8928 117.1201 53.0416 17.9893 179.5828 125 R 3.9130 8.2330 116.4673 59.1770 29.6096 177.8520 126 M 4.5207 7.9768 116.1173 55.3735 32.8183 176.7106 127 I 3.9087 7.5624 119.0222 63.1204 38.1466 177.6442 128 A 4.1380 8.2533 121.9604 55.0494 18.2104 179.9748 129 G 3.5459 7.8324 103.3037 48.0453 0.0000 176.2379 130 S 4.1729 7.5111 116.1574 61.2235 62.7618 176.2849 131 A 4.1331 7.9203 123.1646 55.2372 18.0018 179.8314 132 R 3.8735 7.8816 116.3762 58.8269 29.9906 178.4718 133 S 4.5026 7.7363 112.3069 59.5075 62.8089 174.6425 134 M 4.7487 7.7907 121.2588 54.3242 33.2981 175.1733 135 G 4.0266 7.8157 105.6515 44.6165 0.0000 172.8722 136 V 4.5429 9.2581 127.9320 60.8170 33.2843 175.2982 137 E 4.2551 9.1079 128.1760 56.1147 30.5925 176.0731 138 V 4.3079 8.2130 123.8863 61.2232 32.4267 174.9506 139 V 3.6911 7.7028 127.2686 64.3624 32.1363 176.0337 140 G 3.7575 7.8603 114.4432 45.7748 0.0000 173.1189 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 K 8.31 4.29 0.00 1.65 1.45 0.00 1.40 0.00 0.00 1.51 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 1.24 7.81 3 K 8.54 4.45 0.00 1.88 1.67 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 4 V 9.30 3.81 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 0.70 0.00 0.00 0.82 0.00 0.00 5 V 8.42 4.22 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 0.71 0.00 0.00 0.85 0.00 0.00 6 A 7.34 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.25 4.54 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 0.79 0.00 0.00 0.86 0.00 0.00 8 V 8.84 4.25 1.91 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 0.76 0.00 0.00 0.83 0.00 0.00 9 K 8.61 4.94 0.00 1.63 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81 10 L 8.86 4.91 0.00 1.43 1.41 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.49 5.02 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 12 L 8.89 4.97 0.00 1.18 1.29 0.35 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.88 0.00 2.14 2.19 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 14 A 8.84 4.06 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 15 G 8.86 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 0.00 0.00 0.00 16 K 8.23 4.61 0.00 2.01 1.79 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 17 A 8.67 4.08 1.13 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 0.00 0.00 18 T 7.93 4.75 4.23 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 1.21 0.00 0.00 19 P 0.00 4.37 0.00 2.31 2.33 0.00 3.43 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 2.07 2.08 0.00 20 A 7.36 4.16 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 21 P 0.00 4.51 0.00 2.02 1.96 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 22 P 0.00 4.39 0.00 2.17 2.23 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 1.96 1.94 0.00 23 V 7.70 3.47 2.33 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 1.05 0.00 0.00 0.91 0.00 0.00 24 G 8.11 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 0.00 0.00 0.00 25 P 0.00 4.17 0.00 2.21 2.27 0.00 3.64 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 1.98 0.00 26 A 7.79 3.89 1.21 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 0.00 0.00 27 L 7.98 4.06 0.00 1.68 1.47 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.17 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 29 Q 7.85 3.93 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 30 H 7.76 4.87 0.00 3.12 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.95 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 32 A 7.63 4.42 1.02 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 33 N 8.80 4.59 0.00 2.95 3.10 0.00 0.00 7.03 7.93 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 34 I 8.20 3.65 1.87 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 1.45 0.67 0.91 0.00 0.00 35 M 8.13 4.04 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 36 E 8.68 4.05 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 37 F 8.57 4.26 0.00 2.79 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 38 V 8.07 3.31 2.21 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 1.07 0.00 0.00 0.97 0.00 0.00 39 K 8.09 3.91 0.00 2.09 1.86 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 40 A 8.15 4.03 1.64 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 41 F 8.16 3.64 0.00 1.57 2.53 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 0.00 42 N 8.15 4.19 0.00 2.76 2.84 0.00 0.00 7.08 8.20 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 43 A 8.22 4.07 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 44 A 8.17 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.00 4.35 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 0.65 0.00 0.00 46 A 7.65 4.05 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 47 N 7.94 4.88 0.00 2.70 2.82 0.00 0.00 6.75 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 48 M 7.94 4.53 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 49 G 7.84 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 0.00 0.00 0.00 0.00 50 D 8.61 4.90 0.00 2.74 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 51 A 7.34 4.37 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 52 I 6.82 4.17 1.52 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 1.05 0.12 0.86 0.00 0.00 53 V 8.86 4.52 2.42 0.00 0.00 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 0.93 0.00 0.00 54 P 0.00 4.97 0.00 2.17 1.99 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 55 V 9.14 5.13 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.39 0.00 0.00 56 E 9.56 5.01 0.00 2.09 1.91 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 2.21 2.26 0.00 57 I 9.11 5.02 1.62 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.16 0.76 0.00 0.00 58 T 9.34 4.86 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 0.90 0.00 0.00 59 I 8.36 4.89 1.72 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 1.19 0.65 1.00 0.00 0.00 60 Y 8.93 5.22 0.00 3.05 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 61 A 8.36 4.21 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 62 D 8.22 4.79 0.00 2.82 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 63 R 8.24 4.27 0.00 2.19 2.50 0.00 3.18 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 64 S 8.10 4.58 0.00 3.94 4.04 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 65 F 8.13 5.73 0.00 3.18 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 66 T 9.37 5.10 4.29 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 1.27 0.00 0.00 67 F 8.56 5.70 0.00 3.38 3.35 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 68 V 8.98 4.57 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 1.12 0.00 0.00 0.96 0.00 0.00 69 T 8.76 5.18 4.40 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 1.62 0.00 0.00 70 K 8.79 4.76 0.00 1.64 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 71 T 8.36 4.22 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 1.29 0.00 0.00 72 P 0.00 4.61 0.00 2.27 2.01 0.00 3.86 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 73 P 0.00 4.36 0.00 2.24 2.03 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 74 A 8.78 4.06 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 75 S 8.19 4.11 0.00 4.10 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 76 Y 7.94 4.06 0.00 3.12 3.25 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 77 L 7.98 3.85 0.00 1.95 1.71 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.74 3.67 1.86 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 1.52 1.33 0.90 0.00 0.00 79 R 7.78 3.85 0.00 2.00 1.89 0.00 3.14 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 80 K 7.83 3.77 0.00 1.29 1.46 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.36 7.81 81 A 7.97 3.99 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 82 A 7.42 4.44 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 83 G 7.72 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 0.00 0.00 0.00 84 L 7.50 4.09 0.00 1.66 1.64 0.92 0.57 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 85 E 8.29 4.76 0.00 1.99 1.84 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 2.14 2.24 0.00 86 K 8.24 4.27 0.00 1.89 1.86 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.43 7.81 87 G 9.02 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 0.00 0.00 0.00 88 A 8.54 4.20 1.24 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 0.00 0.00 0.00 89 H 7.70 4.64 0.00 3.17 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.13 4.67 0.00 1.73 1.71 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 91 P 0.00 4.23 0.00 2.17 2.08 0.00 3.75 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 2.00 1.99 0.00 92 G 8.63 3.83 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 0.00 0.00 0.00 93 R 8.39 3.99 0.00 1.81 1.91 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 94 E 8.36 4.68 0.00 1.89 1.81 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 2.23 2.33 0.00 95 K 8.55 4.22 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 96 V 8.30 3.84 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 97 G 8.44 4.35 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 0.00 98 R 8.00 5.30 0.00 1.75 1.99 0.00 2.67 0.00 0.00 3.80 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 *106 E 9.18 4.23 0.00 2.09 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 2.27 2.41 0.00 107 I 7.71 3.80 1.88 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 1.58 0.74 0.93 0.00 0.00 108 A 8.01 4.03 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 0.00 109 K 7.88 4.01 0.00 1.90 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 110 Q 8.12 4.12 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 111 K 7.80 4.45 0.00 1.89 1.84 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.59 7.81 112 M 7.87 4.14 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 113 P 0.00 4.51 0.00 2.23 2.09 0.00 3.78 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 2.00 1.96 0.00 *120 L 7.67 4.49 0.00 1.66 1.78 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.45 4.65 0.00 2.06 1.26 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 2.16 2.27 0.00 122 A 8.63 4.28 1.28 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 0.00 0.00 0.00 123 A 7.75 4.25 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 0.00 124 A 7.89 4.14 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 0.00 125 R 8.23 3.91 0.00 2.03 2.20 0.00 2.76 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 126 M 7.98 4.52 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 127 I 7.56 3.91 1.88 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 1.58 0.90 0.92 0.00 0.00 128 A 8.25 4.14 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 0.00 129 G 7.83 3.55 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 0.00 0.00 0.00 130 S 7.51 4.17 0.00 3.90 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 0.00 131 A 7.92 4.13 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 0.00 132 R 7.88 3.87 0.00 1.82 1.98 0.00 3.13 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 133 S 7.74 4.50 0.00 3.99 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 0.00 134 M 7.79 4.75 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 135 G 7.82 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 0.00 0.00 0.00 136 V 9.26 4.54 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 0.85 0.00 0.00 0.92 0.00 0.00 137 E 9.11 4.26 0.00 1.92 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 2.32 2.40 0.00 138 V 8.21 4.31 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 0.77 0.00 0.00 0.93 0.00 0.00 139 V 7.70 3.69 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 0.83 0.00 0.00 0.93 0.00 0.00 140 G 7.86 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.