NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.1109 8.4401 121.4667 56.3357 30.6149 173.2263 4 A 4.4454 8.2892 119.9720 50.0894 21.9437 172.0312 5 V 4.2161 8.7457 118.1225 61.8816 34.0001 173.5406 6 L 4.6623 8.5526 132.0964 54.1455 41.5447 175.8145 7 T 4.6904 9.1594 120.7395 58.3853 68.1079 169.1417 8 G 4.3322 7.1547 110.2566 43.6171 0.0000 172.1647 9 V 4.8928 7.8310 120.4782 60.2382 33.9553 173.9973 10 A 5.0404 8.7256 127.2701 50.1233 22.3480 174.9825 11 T 5.1343 8.3272 108.6349 59.9944 71.8061 172.7670 12 D 5.0381 9.4177 124.9854 52.3247 44.3607 175.7341 13 K 4.5123 9.0044 122.5217 56.5380 34.3676 176.3980 14 S 4.7427 8.0108 116.1220 57.1508 62.3351 173.5031 15 E 5.0153 7.5935 117.1735 55.7142 34.2868 176.2049 16 A 4.9381 9.0396 123.9557 50.0654 22.7340 175.0997 17 K 4.8088 8.9116 121.3084 54.5140 34.9906 175.2244 18 V 4.7128 7.7105 126.1057 61.2516 35.1390 174.3675 19 T 4.6974 8.4783 122.3805 61.9413 72.5612 173.3390 20 V 4.0978 8.8657 128.4734 61.3318 31.8958 175.0229 21 L 4.4433 8.7605 128.9267 54.8444 43.1813 177.5516 22 G 3.7091 8.8315 108.6926 46.7064 0.0000 173.0391 23 I 4.4145 8.1235 121.6616 59.5489 39.0506 174.9046 24 S 4.2373 8.9696 124.9302 59.1696 62.6855 174.3902 25 D 4.7955 8.6443 130.7297 53.4967 38.7330 175.8433 26 K 4.7803 7.8585 123.1143 50.8053 36.3534 174.4306 27 P 4.5350 0.0000 0.0000 64.3543 31.5611 176.3029 28 G 4.1562 9.1080 110.2924 46.0276 0.0000 175.6594 29 E 4.0819 8.3006 118.6965 59.3127 29.2551 178.9787 30 A 4.0128 8.1044 120.2800 55.0144 18.5145 179.3325 31 A 4.0788 8.0638 118.9073 55.3854 18.3126 179.7743 32 K 3.9911 8.0021 116.8309 59.4384 31.8940 179.8629 33 V 3.3696 7.3190 117.9783 66.0896 31.5321 178.1579 34 F 4.2080 7.6211 117.1459 59.7931 38.7253 178.0028 35 R 3.9868 8.2535 118.7700 59.2532 29.6714 178.2962 36 A 3.9653 7.4231 119.3859 54.9954 18.7211 179.3973 37 L 4.0495 7.7172 117.5154 57.6912 41.7240 179.3385 38 A 4.1334 8.3318 121.0807 54.6262 19.2208 177.8308 39 D 5.0321 8.3365 118.9828 52.3340 38.3626 176.0197 40 A 5.0408 9.2487 135.0000 52.3948 17.9926 178.0336 41 E 3.8117 7.8830 111.4455 56.7187 27.6160 179.8261 42 I 4.0661 7.5613 120.9634 61.5722 37.4277 175.8878 43 N 4.7032 8.5856 125.4061 51.8029 38.1105 173.7403 44 I 4.3981 7.8421 117.5172 59.9082 38.7237 173.9356 45 D 4.7096 8.6175 120.0773 56.1155 41.9586 176.4244 46 M 4.5021 8.4577 116.7810 55.3107 34.2480 175.5589 47 V 4.9023 8.1047 120.3027 62.1327 34.6307 173.3140 48 L 4.7890 9.6436 128.8867 52.9731 44.4916 175.5472 49 Q 4.8028 8.5663 124.5764 53.4128 31.6098 174.2228 50 N 4.7403 8.6921 125.4724 51.9587 40.7603 174.4923 51 V 3.8742 7.9458 112.9179 61.0160 32.1374 176.5895 52 S 4.6807 8.1653 116.0463 56.9677 64.2809 173.9609 53 S 4.3043 8.4294 116.7067 57.9859 62.7792 175.6434 54 V 3.6078 8.4769 129.0750 66.5806 31.5223 177.8297 55 E 4.1416 7.9809 115.0886 59.0280 30.0224 180.6411 56 D 4.3915 8.0758 119.3124 57.5589 41.3628 178.2881 57 G 3.9972 8.8294 106.2512 45.0011 0.0000 172.1803 58 T 5.1993 7.5692 108.8847 60.3306 72.6004 172.2727 59 T 4.8364 8.7376 116.6337 62.8104 73.0240 172.4558 60 D 5.2472 8.6926 120.0502 53.0196 44.9524 175.3396 61 I 5.1012 8.2543 122.1590 59.7418 40.0925 174.7399 62 T 5.1610 9.0095 117.3091 59.8340 72.0992 172.9316 63 F 5.9023 8.5750 117.7427 54.5808 42.4453 173.0910 64 T 5.6146 8.9397 108.7499 59.0823 71.3864 172.6533 65 C 5.2882 8.5817 119.2279 55.1267 34.0063 171.2639 66 P 4.7273 0.0000 0.0000 62.7936 31.8258 177.9257 67 R 3.9415 8.8108 122.2236 59.5002 30.4275 178.9080 68 S 4.0891 8.3842 115.6383 62.0062 63.0458 175.3057 69 D 4.8307 8.0772 116.4275 53.0176 39.8505 180.4124 70 G 3.7401 7.7826 107.2307 48.6155 0.0000 176.2041 71 R 4.1734 7.8639 119.7015 59.0071 30.0560 178.7961 72 R 3.9510 8.0090 117.5132 59.0789 30.2425 178.1071 73 A 3.8417 8.1536 120.7063 55.0023 18.1737 179.6398 74 M 4.1801 8.2655 120.1418 59.2782 32.1313 179.0139 75 E 4.0333 7.8289 120.6262 62.0459 29.5594 181.8348 76 I 4.0500 7.8254 121.8503 65.4640 36.0461 180.4510 77 L 4.6928 7.7650 125.8042 60.0836 41.0846 181.8089 78 K 4.3969 9.1755 128.5397 60.2815 31.3067 181.7950 79 K 4.4406 7.9859 125.4380 60.1099 31.7884 182.0746 80 L 4.4065 7.6442 120.3168 57.7840 41.0900 181.1020 81 Q 3.4550 7.4877 119.3442 59.9584 30.2978 178.3807 82 V 3.7690 7.2597 116.2034 60.6509 29.1560 176.7311 *85 N 4.5114 7.1688 120.4343 52.6436 41.1918 176.0314 86 W 5.1263 6.6105 118.9589 55.6243 30.8641 176.9930 87 T 4.2280 8.6657 110.5956 64.8601 68.9806 174.0890 88 N 5.0390 8.1471 118.9931 52.2381 43.1569 173.2829 89 V 4.8708 8.2831 121.6065 61.2342 34.6242 174.3030 90 L 4.9473 9.1831 129.7031 53.7518 45.2171 175.6727 *91 Y 4.9869 8.2448 120.7354 56.1169 41.1316 176.1041 92 D 4.4304 8.7478 120.3496 53.9772 43.3604 174.4809 93 D 4.8362 8.4872 123.6940 53.0481 40.0738 177.0859 94 Q 4.7323 7.8822 117.3577 56.0057 29.5754 175.0103 95 V 4.5421 7.7216 116.0249 60.0019 34.8813 176.1719 96 G 4.2557 8.4136 106.8866 44.4990 0.0000 171.1801 97 K 5.2697 9.1062 124.8612 54.3664 35.0706 175.3242 98 V 4.9700 8.7398 125.4836 60.2441 34.4271 174.6716 99 S 5.4871 9.0243 119.9738 55.5413 67.3572 173.0068 100 L 4.9271 8.2013 122.0014 53.4507 44.5145 175.1585 101 V 4.1756 8.5314 127.5437 62.5136 32.8827 175.4167 102 G 4.1316 8.7713 112.7554 47.1669 0.0000 171.5761 103 A 4.5871 8.8354 121.3674 51.8572 22.0082 177.9633 104 G 4.0149 8.5286 111.8453 46.5108 0.0000 175.3711 105 M 4.1911 7.8744 119.2104 57.0552 32.8401 178.5558 106 K 4.0905 8.0970 119.4139 59.5230 32.6158 178.0463 107 S 4.1472 8.1729 113.1301 60.9243 62.6980 173.9766 108 H 4.8435 7.6834 119.0175 53.1616 31.3108 172.0526 109 P 4.4699 0.0000 0.0000 64.8801 31.3531 178.0607 110 G 3.6389 7.8116 105.8692 48.0344 0.0000 175.5127 111 V 3.6303 7.2865 118.7497 66.2926 31.4467 178.3813 112 T 3.9065 7.8468 114.7642 66.3816 68.3187 176.5588 113 A 4.0376 8.1454 122.8548 55.2674 18.4739 179.5952 114 E 4.0923 8.7919 117.5194 59.2928 29.5745 179.4112 115 F 3.9910 8.3858 120.8586 61.7017 39.5627 177.2292 116 M 4.2475 8.0762 118.3574 58.3242 31.8590 178.6537 117 E 4.0150 8.4172 118.7901 58.9224 29.4921 179.1894 118 A 3.9636 8.4771 123.8140 55.8906 18.4299 180.4349 119 L 3.9671 7.5430 120.3178 59.1730 40.8767 181.2090 120 R 4.0390 7.8466 118.5370 59.9309 29.8805 178.5314 121 D 4.7029 7.8010 116.1857 56.5145 40.8073 178.0823 122 V 4.0623 7.1167 109.6488 59.5512 33.1764 175.3370 123 N 4.1725 8.3364 117.9463 54.1293 36.9535 173.0300 124 V 4.4034 7.8947 116.9974 59.2301 34.5792 175.9332 125 N 4.3979 8.7603 122.8868 53.3668 39.4193 174.4168 126 I 4.2039 8.0815 126.7747 60.3210 36.7301 175.3836 127 E 4.1991 9.0076 127.6813 58.7580 30.0884 177.4455 128 L 5.0058 7.8214 117.0040 53.0161 46.5329 175.5668 129 I 4.9763 8.1339 119.9082 60.0893 41.2086 175.8324 130 S 4.4465 9.0769 121.2782 57.9055 64.4066 172.8404 131 T 4.8159 8.0659 116.5596 60.0872 72.2440 172.6213 132 S 4.4943 8.6587 115.4974 57.6129 65.7814 175.3584 133 E 4.1753 8.7196 118.9839 58.2977 29.3356 178.6353 134 I 4.4868 7.5980 109.8892 60.2431 39.5359 175.1892 135 R 5.2391 7.3621 114.7331 55.4888 33.2142 174.4080 136 I 4.3419 8.1683 120.7779 59.5880 39.0058 174.0210 137 S 5.0305 8.3271 122.8042 57.2702 65.1427 173.7227 138 V 4.9921 8.6056 115.2830 59.9079 36.7545 173.8687 139 L 5.3080 8.5477 122.4784 53.2894 43.9003 175.9183 140 I 4.9336 8.0793 116.7281 59.1870 41.5039 174.8219 141 R 4.1281 8.4656 119.8354 56.1044 30.6786 177.1147 142 E 3.9162 8.9298 122.4781 59.6289 29.5389 177.3230 143 D 4.8341 7.9497 115.8014 54.7361 41.1138 176.2604 144 D 4.9506 8.1145 116.9967 53.9696 41.9932 178.2246 145 L 4.0634 8.1033 124.4144 58.4504 41.7603 179.5124 146 D 4.3443 8.0413 120.3611 58.4970 39.3457 180.2105 147 A 4.1978 7.9702 121.9564 54.6241 18.4004 179.5384 148 A 3.8103 8.0208 119.1502 55.2060 18.5845 179.5060 149 A 3.9741 8.3112 121.8761 56.1165 18.4049 180.5049 150 R 3.9070 7.8866 118.4352 61.7734 29.5233 180.6894 151 A 4.1688 7.6712 120.7749 54.7880 18.1059 179.8412 152 L 3.8283 7.6690 116.6655 58.1325 41.7758 178.9214 153 H 4.3329 8.6159 117.7004 59.8101 28.8172 178.2120 154 E 4.1385 8.4588 118.4706 59.6642 30.6642 179.4969 155 Q 4.8518 7.4445 121.3002 54.9661 26.6377 175.8454 *156 F 4.2896 7.5032 122.5004 57.5173 38.8746 175.7421 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 3 E 8.44 4.11 0.00 1.93 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 2.16 2.26 0.00 4 A 8.29 4.45 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 5 V 8.75 4.22 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 1.02 0.00 0.00 0.93 0.00 0.00 6 L 8.55 4.66 0.00 1.47 1.45 0.92 0.79 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 7 T 9.16 4.69 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 8 G 7.15 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 9 V 7.83 4.89 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 0.46 0.00 0.00 0.93 0.00 0.00 10 A 8.73 5.04 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 11 T 8.33 5.13 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 12 D 9.42 5.04 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.00 4.51 0.00 1.84 1.85 0.00 1.50 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.44 7.81 14 S 8.01 4.74 0.00 4.03 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 E 7.59 5.02 0.00 1.82 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 2.34 2.46 0.00 16 A 9.04 4.94 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 17 K 8.91 4.81 0.00 1.71 1.55 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.24 7.81 18 V 7.71 4.71 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 0.00 0.00 0.81 0.00 0.00 0.72 0.00 0.00 19 T 8.48 4.70 4.15 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 1.14 0.00 0.00 20 V 8.87 4.10 1.69 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 -0.08 0.00 0.00 0.46 0.00 0.00 21 L 8.76 4.44 0.00 1.84 1.59 0.92 0.84 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 22 G 8.83 3.71 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 0.00 0.00 0.00 23 I 8.12 4.41 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.78 0.97 0.00 0.00 24 S 8.97 4.24 0.00 3.97 3.84 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 25 D 8.64 4.80 0.00 2.80 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 26 K 7.86 4.78 0.00 1.66 1.58 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 0.96 7.81 27 P 0.00 4.54 0.00 2.19 2.12 0.00 3.72 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 1.98 0.00 28 G 9.11 4.16 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 0.00 0.00 0.00 29 E 8.30 4.08 0.00 2.11 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 2.51 2.74 0.00 30 A 8.10 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.08 1.43 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 32 K 8.00 3.99 0.00 2.12 2.04 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.70 7.81 33 V 7.32 3.37 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.62 0.00 0.00 34 F 7.62 4.21 0.00 3.04 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 35 R 8.25 3.99 0.00 2.02 2.05 0.00 3.20 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 36 A 7.42 3.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.05 0.00 1.79 1.64 0.18 0.90 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 38 A 8.33 4.13 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 39 D 8.34 5.03 0.00 2.70 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 40 A 9.25 5.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 3.81 0.00 2.18 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 2.14 2.14 0.00 42 I 7.56 4.07 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.25 0.96 0.00 0.00 43 N 8.59 4.70 0.00 2.67 2.75 0.00 0.00 7.22 7.94 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 44 I 7.84 4.40 2.06 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 1.32 1.03 0.82 0.00 0.00 45 D 8.62 4.71 0.00 2.66 2.85 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 46 M 8.46 4.50 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 47 V 8.10 4.90 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 0.88 0.00 0.00 0.88 0.00 0.00 48 L 9.64 4.79 0.00 1.54 1.55 0.96 0.90 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 49 Q 8.57 4.80 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 50 N 8.69 4.74 0.00 2.72 2.73 0.00 0.00 7.28 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 51 V 7.95 3.87 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 0.79 0.00 0.00 0.94 0.00 0.00 52 S 8.17 4.68 0.00 4.08 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 53 S 8.43 4.30 0.00 3.91 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 54 V 8.48 3.61 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 0.81 0.00 0.00 0.94 0.00 0.00 55 E 7.98 4.14 0.00 2.03 1.82 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 2.23 1.90 0.00 56 D 8.08 4.39 0.00 2.67 2.77 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 57 G 8.83 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 58 T 7.57 5.20 4.38 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 1.25 0.00 0.00 59 T 8.74 4.84 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 1.28 0.00 0.00 60 D 8.69 5.25 0.00 2.57 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 0.00 0.00 0.00 0.00 61 I 8.25 5.10 1.74 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 1.30 0.66 1.01 0.00 0.00 62 T 9.01 5.16 4.22 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 1.16 0.00 0.00 63 F 8.58 5.90 0.00 3.35 3.28 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 64 T 8.94 5.61 4.34 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 1.21 0.00 0.00 65 C 8.58 5.29 0.00 3.07 3.24 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 66 P 0.00 4.73 0.00 2.12 2.04 0.00 3.65 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 2.14 2.12 0.00 67 R 8.81 3.94 0.00 1.84 1.94 0.00 3.19 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 68 S 8.38 4.09 0.00 3.91 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 69 D 8.08 4.83 0.00 2.62 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 70 G 7.78 3.74 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 0.00 0.00 0.00 71 R 7.86 4.17 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 72 R 8.01 3.95 0.00 1.90 1.96 0.00 3.20 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 73 A 8.15 3.84 1.55 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 74 M 8.27 4.18 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 75 E 7.83 4.03 0.00 1.83 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 2.25 2.22 0.00 76 I 7.83 4.05 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 1.50 1.10 0.91 0.00 0.00 77 L 7.77 4.69 0.00 1.74 1.70 0.92 0.64 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 78 K 9.18 4.40 0.00 1.70 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 79 K 7.99 4.44 0.00 1.85 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 80 L 7.64 4.41 0.00 1.77 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.49 3.45 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.53 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 82 V 7.26 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 *85 N 7.17 4.51 0.00 1.59 2.35 0.00 0.00 7.24 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 86 W 6.61 5.13 0.00 3.49 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 87 T 8.67 4.23 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 88 N 8.15 5.04 0.00 2.76 2.67 0.00 0.00 6.62 7.59 0.00 0.00 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 V 8.28 4.87 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 0.85 0.00 0.00 1.19 0.00 0.00 90 L 9.18 4.95 0.00 1.48 1.45 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *91 Y 8.24 4.99 0.00 2.05 2.01 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 92 D 8.75 4.43 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.84 0.00 2.81 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 94 Q 7.88 4.73 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 95 V 7.72 4.54 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 0.73 0.00 0.00 0.94 0.00 0.00 96 G 8.41 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 0.00 0.00 0.00 0.00 97 K 9.11 5.27 0.00 1.82 1.66 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.53 7.81 98 V 8.74 4.97 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 0.82 0.00 0.00 1.04 0.00 0.00 99 S 9.02 5.49 0.00 3.80 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 0.00 100 L 8.20 4.93 0.00 2.01 1.53 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.53 4.18 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 0.95 0.00 0.00 0.94 0.00 0.00 102 G 8.77 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 0.00 0.00 0.00 0.00 103 A 8.84 4.59 1.20 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 0.00 0.00 0.00 104 G 8.53 4.01 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 0.00 105 M 7.87 4.19 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 106 K 8.10 4.09 0.00 1.77 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 107 S 8.17 4.15 0.00 3.91 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 0.00 108 H 7.68 4.84 0.00 3.22 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.47 0.00 2.27 2.27 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 110 G 7.81 3.64 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 0.00 111 V 7.29 3.63 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 0.98 0.00 0.00 112 T 7.85 3.91 4.34 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 1.18 0.00 0.00 113 A 8.15 4.04 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 0.00 114 E 8.79 4.09 0.00 2.21 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 2.34 2.44 0.00 115 F 8.39 3.99 0.00 3.30 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 0.00 116 M 8.08 4.25 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.04 0.00 117 E 8.42 4.01 0.00 2.22 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 2.33 2.41 0.00 118 A 8.48 3.96 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 0.00 0.00 0.00 0.00 0.00 119 L 7.54 3.97 0.00 1.70 1.69 0.92 0.64 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 0.00 120 R 7.85 4.04 0.00 1.99 2.17 0.00 3.06 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 121 D 7.80 4.70 0.00 2.70 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 0.00 122 V 7.12 4.06 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 0.72 0.00 0.00 1.02 0.00 0.00 123 N 8.34 4.17 0.00 2.73 2.79 0.00 0.00 6.86 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 0.00 124 V 7.89 4.40 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 0.73 0.00 0.00 0.96 0.00 0.00 125 N 8.76 4.40 0.00 2.70 2.76 0.00 0.00 7.12 7.94 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 0.00 126 I 8.08 4.20 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 1.01 0.00 0.00 127 E 9.01 4.20 0.00 2.01 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 2.34 2.29 0.00 128 L 7.82 5.01 0.00 1.58 1.49 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.13 4.98 1.86 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 1.25 0.61 0.86 0.00 0.00 130 S 9.08 4.45 0.00 3.85 3.68 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 0.00 0.00 0.00 0.00 131 T 8.07 4.82 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 1.05 0.00 0.00 132 S 8.66 4.49 0.00 3.92 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 0.00 133 E 8.72 4.18 0.00 2.03 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 2.38 2.28 0.00 134 I 7.60 4.49 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 2.01 0.90 0.00 0.00 135 R 7.36 5.24 0.00 1.87 1.98 0.00 2.96 0.00 0.00 3.24 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 136 I 8.17 4.34 1.25 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 1.11 1.31 -0.15 0.00 0.00 137 S 8.33 5.03 0.00 3.88 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 0.00 138 V 8.61 4.99 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 0.89 0.00 0.00 1.33 0.00 0.00 139 L 8.55 5.31 0.00 1.61 1.55 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.08 4.93 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 1.25 0.97 1.03 0.00 0.00 141 R 8.47 4.13 0.00 1.86 1.88 0.00 3.30 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 142 E 8.93 3.92 0.00 2.00 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 2.30 2.36 0.00 143 D 7.95 4.83 0.00 2.70 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 0.00 144 D 8.11 4.95 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.10 4.06 0.00 1.69 1.71 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.04 4.34 0.00 2.68 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 0.00 147 A 7.97 4.20 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 0.00 148 A 8.02 3.81 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 0.00 149 A 8.31 3.97 1.43 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 0.00 150 R 7.89 3.91 0.00 1.87 1.97 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 151 A 7.67 4.17 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 0.00 152 L 7.67 3.83 0.00 1.69 1.67 0.51 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.62 4.33 0.00 3.29 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.46 4.14 0.00 2.05 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 0.00 2.26 2.19 0.00 155 Q 7.44 4.85 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 *156 F 7.50 4.29 0.00 2.28 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.