NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.3875 8.2876 116.7506 56.0686 32.6000 177.8413 10 V 3.5786 7.5277 119.4680 63.3575 31.3723 176.5909 11 L 4.0433 8.1340 122.0900 58.7986 42.5284 180.5992 *12 F 4.0756 8.1481 122.4959 62.5490 37.8436 179.8797 13 S 4.3164 7.9615 118.6869 63.1471 61.9980 178.5825 14 A 4.1903 8.1087 124.8346 54.9520 18.1477 179.9813 15 V 3.5775 8.0410 116.9395 66.0752 31.5969 177.9867 16 N 4.3275 8.1574 116.2779 56.3178 38.4240 176.8941 17 E 3.9293 7.9226 119.5984 59.7434 29.4118 179.6501 18 I 3.6309 7.2887 117.9386 64.4207 37.2619 178.1704 19 F 4.2442 8.1899 117.0293 59.6949 39.0715 177.0985 20 E 4.2550 8.5415 117.2737 58.9856 29.9291 177.7280 21 E 4.1869 8.1146 116.0723 58.7902 29.9221 177.9234 22 K 4.1262 7.9362 115.3087 57.0316 32.6171 176.8466 23 I 4.0221 7.4802 121.5087 59.7197 37.2219 174.8306 24 P 4.3578 0.0000 0.0000 64.1919 31.5909 178.3355 25 F 4.5788 7.9574 119.7807 60.5539 38.5119 177.3066 26 N 4.6640 7.8488 122.8012 57.9309 37.3156 182.4777 27 K 4.3690 8.1575 123.2921 59.0646 31.7596 180.3156 28 I 4.5692 8.4217 118.0698 61.9067 40.3507 175.5757 29 I 4.9335 7.6464 122.3459 59.2324 40.6796 175.6210 30 G 3.8591 9.3386 115.4247 46.2240 0.0000 171.9440 31 L 4.9161 8.1047 122.4411 53.2655 45.4146 175.2715 32 K 4.6423 8.5561 124.6264 54.5691 36.5087 175.6649 33 V 3.9194 8.6889 125.4686 62.5852 30.9761 175.7352 34 R 4.2960 8.6849 128.5770 58.5094 30.9882 177.2307 35 F 5.0144 7.8418 119.3461 56.7124 43.1020 173.2360 36 I 4.8056 6.8870 117.4756 59.4156 39.5149 174.1700 37 S 4.4002 8.2807 117.3756 56.7261 65.8615 174.0567 38 P 4.3355 0.0000 0.0000 65.1174 31.4479 177.6043 39 E 4.4029 7.7507 114.1173 57.3775 30.7408 175.6225 40 Q 5.0269 8.2265 119.0151 54.5559 32.9802 174.3013 41 V 4.9987 8.8925 118.1817 59.5505 36.5741 174.5008 42 K 4.9307 9.2947 124.2377 54.8916 35.4778 174.8531 43 L 5.2205 9.0682 127.4571 52.7924 45.2021 175.4534 44 S 5.0730 8.5100 117.1675 56.5506 65.8935 172.9949 45 F 5.0831 9.1252 121.3728 55.6696 42.3557 173.6889 46 E 4.6037 8.4536 123.4466 55.6440 32.5042 176.9657 *48 R 4.3606 8.8005 113.3591 55.2694 32.1763 174.5624 49 D 4.8261 7.4149 116.9350 52.2747 42.0501 175.4741 50 E 4.2699 8.8589 126.2013 56.9470 29.8886 177.1235 51 L 3.7446 8.2138 118.0291 55.6227 39.0271 174.1840 52 I 3.8184 7.8525 118.9988 62.7012 37.5128 176.9266 53 G 3.9727 8.9253 113.2705 45.1763 0.0000 173.1133 54 N 4.4749 7.5202 118.5607 52.9640 39.4593 175.0422 55 A 4.1896 8.6971 128.1400 54.3326 18.9294 177.4781 56 I 4.6392 7.9443 109.5811 60.2366 38.2088 177.0521 57 R 4.0972 8.2756 122.7242 60.9759 30.1525 179.1232 58 R 3.8246 7.9915 112.9836 57.2229 29.9508 178.2636 *60 L 4.2648 7.9866 120.4465 55.1097 43.7378 178.8941 61 Y 4.0210 8.2429 116.2693 60.6175 37.6388 178.8667 62 G 3.6067 7.8847 106.7457 47.8020 0.0000 176.0592 63 G 3.5955 7.9675 108.1244 47.2687 0.0000 175.8027 64 V 3.4984 7.5495 120.2130 65.8099 31.4898 178.2512 65 I 3.4669 7.7964 119.7873 64.2112 36.8554 178.5721 66 S 4.0933 8.0706 115.0576 61.6100 62.5813 176.7921 67 S 4.0602 7.8467 117.6443 61.0401 62.6222 176.1435 68 A 3.7937 7.6904 122.3674 55.0573 18.2726 179.4242 69 I 3.8917 7.7727 118.2839 64.5047 37.1734 179.0606 70 D 4.7627 8.1293 115.4997 55.5439 40.8682 177.8067 *72 T 4.3194 7.8905 115.9853 63.1792 70.5490 176.2250 73 A 4.1921 8.4235 123.2158 55.0062 18.2959 179.9810 74 G 2.6122 8.2134 104.5082 47.4798 0.0000 175.8254 75 L 4.0183 7.8677 121.1983 57.6640 42.2084 178.4235 76 A 4.0699 7.9272 119.8046 55.0024 18.5541 179.0578 77 A 4.0158 8.1401 119.6046 55.1616 18.3264 180.1520 78 F 4.4856 8.1347 116.1859 59.2665 38.8560 176.9757 *80 G 3.6683 8.0041 107.1086 45.1587 0.0000 175.9305 81 F 4.5268 8.1691 119.9719 60.0964 39.0840 177.9156 82 Q 3.9031 7.9380 117.9867 58.8145 28.5583 177.2040 83 E 3.9351 7.4122 119.5372 59.0618 30.2026 178.0548 84 K 4.2401 7.3046 117.7115 56.0958 29.6015 176.3794 *86 S 4.3983 7.4641 115.7929 58.0362 65.4247 175.5210 87 G 3.9760 7.8321 108.8807 44.4175 0.0000 173.4683 88 K 4.4925 7.6360 118.5945 54.8835 34.5115 176.5269 89 P 4.8778 0.0000 0.0000 62.5329 30.3255 178.1474 *91 E 4.3236 9.1534 127.6019 57.4293 31.0480 177.5769 92 E 4.0567 8.1974 116.5509 59.0754 29.5660 179.1088 93 K 4.2000 7.6623 118.0242 59.6231 32.2776 179.0978 94 L 4.2739 8.0160 117.1023 57.3838 41.5040 179.8782 95 A 4.2101 8.1100 122.0233 51.9192 18.1477 179.1557 *97 I 4.2202 7.9310 123.6401 62.4367 39.8729 177.5659 98 G 3.6391 7.7188 107.0686 47.7996 0.0000 174.5190 99 R 4.2351 7.8775 117.7205 57.0731 30.7913 176.0341 100 L 4.7030 7.4832 119.3913 54.9703 42.1236 176.7301 101 S 4.7781 9.4229 118.1981 56.8083 66.1362 173.6986 102 T 3.6439 8.2121 122.9663 62.9986 69.7059 173.5067 *104 S 4.1937 8.3486 116.1347 58.2540 63.9284 172.0593 105 L 4.9131 8.5494 127.5478 53.7813 44.6223 175.0389 106 H 4.9234 9.3680 124.7312 54.0887 31.3517 173.2887 107 V 4.6809 8.4281 123.2507 60.9108 34.1162 174.2212 108 E 4.6984 8.8405 127.3346 54.8421 31.9165 174.3779 109 Y 4.8650 8.7516 122.4647 56.8673 38.7418 175.6643 110 L 4.5054 9.0342 125.2739 56.7161 42.8865 176.7218 111 R 4.5507 7.5813 112.3707 54.2873 32.0656 172.4963 112 P 4.3300 0.0000 0.0000 62.2216 31.3571 176.5831 113 G 3.4136 8.1651 112.5045 45.7972 0.0000 175.2599 114 L 3.3061 6.0619 119.8181 53.9042 38.6536 176.6774 115 G 4.4112 7.3333 108.9107 44.8415 0.0000 175.2026 116 R 4.2706 8.8520 118.6402 58.6203 29.7441 177.9293 117 E 5.1067 8.0674 116.5032 54.1321 32.9704 175.1904 118 F 5.3361 8.4269 117.4112 55.1437 41.8865 173.7279 119 V 5.1097 8.6654 118.8243 60.1954 34.7988 173.7255 120 C 5.2521 9.5731 123.2085 58.1304 34.8554 172.4153 121 T 4.8206 8.9579 123.0141 61.6960 70.8467 173.4811 122 G 4.3682 9.1905 113.8481 44.6462 0.0000 171.4653 123 Y 5.0745 8.9821 124.2934 56.1806 40.3076 174.6501 124 N 4.7632 9.3254 124.7210 53.3868 38.8155 175.0328 125 V 3.8700 8.7514 129.8994 65.9904 32.1237 177.2321 126 R 4.5377 7.7159 117.1845 55.1447 33.1563 175.7443 127 T 4.6016 8.4143 119.8128 60.8411 70.3495 174.1324 128 G 4.0403 8.4145 124.3251 45.5673 0.0000 172.7601 129 N 4.5203 8.9627 118.5567 56.2959 39.6824 176.8152 130 K 4.4778 8.1016 115.8324 56.2758 34.1134 175.9412 131 V 5.0754 7.8589 118.5285 60.8838 34.4706 174.2270 132 A 4.8593 9.2005 129.3126 50.1824 21.4653 174.9892 133 V 4.5982 8.4768 123.2403 62.5408 33.2845 174.9201 134 I 5.0810 9.3045 131.1777 60.1932 40.7177 175.1280 135 R 5.2342 8.9247 126.9966 55.4482 31.7367 173.3272 136 T 5.2643 9.2852 114.4534 59.1121 72.6124 173.2100 137 E 4.5779 9.0816 121.4963 54.8971 33.3809 174.5147 138 L 5.4369 9.2320 127.2739 52.5805 45.0580 175.6639 *140 N 4.9965 8.2054 119.2944 52.7667 38.4450 174.1657 141 D 4.4087 8.8820 116.3963 57.9966 40.8680 177.4219 142 Q 4.3306 8.2354 115.3081 55.3441 28.6464 174.8263 143 D 4.4208 7.6420 115.3890 55.3436 40.0692 172.9415 144 E 4.5172 8.0570 116.3021 53.6161 30.8936 175.8257 145 L 4.0692 8.5977 126.4371 55.3893 42.4582 175.8741 146 I 4.3890 8.5670 120.2132 62.1217 39.8398 175.4385 147 A 4.9652 7.6122 121.9954 50.6605 22.5667 175.5637 148 V 4.8637 8.6249 113.0567 59.6619 35.8544 175.1613 149 G 4.5157 8.8481 108.7472 44.1788 0.0000 171.6277 150 S 5.2493 9.2257 118.5927 56.4687 65.9608 173.3984 151 V 4.8813 9.1981 124.8950 61.1359 34.8764 174.1129 152 S 5.3343 9.0134 123.8183 57.0584 64.8634 173.0826 153 Y 4.9969 9.0502 122.5311 56.1316 40.8922 174.9034 154 I 5.6376 8.8593 115.8637 58.1204 41.8857 174.0081 155 L 4.9000 8.3626 123.0004 53.3531 42.6884 177.1493 156 V 4.0089 8.4425 123.6247 61.7163 31.2526 175.9627 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 9 E 8.29 4.39 0.00 1.91 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 2.21 1.88 0.00 10 V 7.53 3.58 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 0.77 0.00 0.00 0.94 0.00 0.00 11 L 8.13 4.04 0.00 1.80 1.70 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *12 F 8.15 4.08 0.00 2.33 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 0.00 0.00 0.00 0.00 13 S 7.96 4.32 0.00 3.70 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 14 A 8.11 4.19 1.40 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 0.00 0.00 15 V 8.04 3.58 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 0.78 0.00 0.00 1.02 0.00 0.00 16 N 8.16 4.33 0.00 2.91 2.84 0.00 0.00 7.02 7.81 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 17 E 7.92 3.93 0.00 2.13 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 2.45 2.51 0.00 18 I 7.29 3.63 1.91 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 1.44 0.55 0.59 0.00 0.00 19 F 8.19 4.24 0.00 3.05 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 20 E 8.54 4.26 0.00 2.02 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 2.46 2.37 0.00 21 E 8.11 4.19 0.00 2.36 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 1.89 0.00 22 K 7.94 4.13 0.00 1.86 1.78 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.50 7.81 23 I 7.48 4.02 1.91 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 1.32 0.83 1.09 0.00 0.00 24 P 0.00 4.36 0.00 1.73 1.96 0.00 3.27 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 25 F 7.96 4.58 0.00 3.13 3.03 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 26 N 7.85 4.66 0.00 2.78 2.78 0.00 0.00 6.87 7.31 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 27 K 8.16 4.37 0.00 1.85 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.06 7.81 28 I 8.42 4.57 1.93 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 1.16 1.07 0.00 0.00 29 I 7.65 4.93 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 1.30 1.09 1.05 0.00 0.00 30 G 9.34 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 31 L 8.10 4.92 0.00 1.61 1.48 1.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.56 4.64 0.00 1.57 1.54 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.27 7.81 33 V 8.69 3.92 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 0.57 0.00 0.00 0.73 0.00 0.00 34 R 8.68 4.30 0.00 1.87 1.98 0.00 3.36 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 35 F 7.84 5.01 0.00 3.05 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 36 I 6.89 4.81 1.68 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 1.15 0.52 0.73 0.00 0.00 37 S 8.28 4.40 0.00 3.96 3.67 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 38 P 0.00 4.34 0.00 2.02 2.09 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 39 E 7.75 4.40 0.00 2.05 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 2.28 2.40 0.00 40 Q 8.23 5.03 0.00 2.20 2.08 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 2.24 1.95 0.00 41 V 8.89 5.00 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 0.61 0.00 0.00 1.00 0.00 0.00 42 K 9.29 4.93 0.00 1.77 1.68 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 43 L 9.07 5.22 0.00 1.61 0.93 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.51 5.07 0.00 3.79 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 45 F 9.13 5.08 0.00 1.80 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 46 E 8.45 4.60 0.00 1.95 1.61 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 2.18 2.25 0.00 *48 R 8.80 4.36 0.00 2.02 2.04 0.00 3.45 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 49 D 7.41 4.83 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.27 0.00 2.08 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 0.00 2.48 2.42 0.00 51 L 8.21 3.74 0.00 2.04 1.83 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.85 3.82 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.38 0.93 0.00 0.00 53 G 8.93 3.97 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 0.00 0.00 0.00 54 N 7.52 4.47 0.00 2.70 2.84 0.00 0.00 7.10 7.85 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 55 A 8.70 4.19 1.29 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 0.00 0.00 0.00 56 I 7.94 4.64 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 1.26 0.84 0.91 0.00 0.00 57 R 8.28 4.10 0.00 2.09 2.00 0.00 3.37 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 1.88 1.95 0.00 58 R 7.99 3.82 0.00 1.88 1.87 0.00 3.17 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 *60 L 7.99 4.26 0.00 1.91 1.69 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.24 4.02 0.00 3.15 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 62 G 7.88 3.61 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 0.00 0.00 0.00 63 G 7.97 3.60 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 0.00 0.00 0.00 64 V 7.55 3.50 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 1.04 0.00 0.00 0.79 0.00 0.00 65 I 7.80 3.47 2.18 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 1.16 0.29 0.77 0.00 0.00 66 S 8.07 4.09 0.00 4.11 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 0.00 67 S 7.85 4.06 0.00 3.92 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 68 A 7.69 3.79 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.77 3.89 2.03 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.92 0.00 0.00 70 D 8.13 4.76 0.00 2.94 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 *72 T 7.89 4.32 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 1.31 0.00 0.00 73 A 8.42 4.19 1.63 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 74 G 8.21 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 0.00 0.00 0.00 75 L 7.87 4.02 0.00 1.21 1.70 0.28 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.93 4.07 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 77 A 8.14 4.02 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 78 F 8.13 4.49 0.00 3.22 3.27 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 *80 G 8.00 3.67 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 0.00 0.00 0.00 81 F 8.17 4.53 0.00 3.06 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 82 Q 7.94 3.90 0.00 1.82 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 1.43 1.97 0.00 83 E 7.41 3.94 0.00 2.02 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 2.27 2.29 0.00 84 K 7.30 4.24 0.00 2.03 1.81 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.52 7.81 *86 S 7.46 4.40 0.00 3.99 3.97 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 87 G 7.83 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 88 K 7.64 4.49 0.00 1.76 1.75 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.40 7.81 89 P 0.00 4.88 0.00 2.19 1.08 0.00 3.63 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 2.11 2.10 0.00 *91 E 9.15 4.32 0.00 2.11 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 2.30 2.41 0.00 92 E 8.20 4.06 0.00 1.95 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 2.32 2.41 0.00 93 K 7.66 4.20 0.00 1.76 1.97 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.65 7.81 94 L 8.02 4.27 0.00 1.77 1.76 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.11 4.21 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 *97 I 7.93 4.22 1.63 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 1.26 1.28 0.82 0.00 0.00 98 G 7.72 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 99 R 7.88 4.24 0.00 1.86 2.05 0.00 3.13 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 100 L 7.48 4.70 0.00 1.77 1.88 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 S 9.42 4.78 0.00 3.87 3.65 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 0.00 102 T 8.21 3.64 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 0.95 0.00 0.00 *104 S 8.35 4.19 0.00 3.90 3.72 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 0.00 105 L 8.55 4.91 0.00 1.59 1.51 0.95 0.98 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 0.00 106 H 9.37 4.92 0.00 3.21 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.43 4.68 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 0.04 0.00 0.00 0.85 0.00 0.00 108 E 8.84 4.70 0.00 1.86 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 2.20 2.39 0.00 109 Y 8.75 4.86 0.00 2.77 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 0.00 110 L 9.03 4.51 0.00 1.57 1.73 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.58 4.55 0.00 1.86 1.88 0.00 3.03 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 112 P 0.00 4.33 0.00 1.96 1.92 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 113 G 8.17 3.41 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 0.00 114 L 6.06 3.31 0.00 1.75 1.58 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.33 4.41 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 0.00 116 R 8.85 4.27 0.00 1.84 1.85 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 117 E 8.07 5.11 0.00 2.04 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 2.16 2.28 0.00 118 F 8.43 5.34 0.00 3.20 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 0.00 119 V 8.67 5.11 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 0.88 0.00 0.00 1.07 0.00 0.00 120 C 9.57 5.25 0.00 3.20 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 0.00 121 T 8.96 4.82 4.14 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 0.66 0.00 0.00 122 G 9.19 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 0.00 0.00 0.00 0.00 123 Y 8.98 5.07 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 9.33 4.76 0.00 2.67 2.74 0.00 0.00 7.22 7.61 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 0.00 125 V 8.75 3.87 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 0.75 0.00 0.00 0.97 0.00 0.00 126 R 7.72 4.54 0.00 1.73 1.71 0.00 3.25 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 127 T 8.41 4.60 4.08 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 0.70 0.00 0.00 128 G 8.41 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 0.00 0.00 0.00 129 N 8.96 4.52 0.00 2.72 2.90 0.00 0.00 6.71 6.68 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 0.00 130 K 8.10 4.48 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.36 7.81 131 V 7.86 5.08 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 1.13 0.00 0.00 1.00 0.00 0.00 132 A 9.20 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.48 4.60 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 0.96 0.00 0.00 0.95 0.00 0.00 134 I 9.30 5.08 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.41 0.99 0.00 0.00 135 R 8.92 5.23 0.00 1.50 1.79 0.00 3.21 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 136 T 9.29 5.26 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 1.33 0.00 0.00 137 E 9.08 4.58 0.00 2.05 1.93 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 2.30 2.45 0.00 138 L 9.23 5.44 0.00 1.66 1.54 0.75 0.20 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 *140 N 8.21 5.00 0.00 3.11 3.10 0.00 0.00 6.01 8.07 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 0.00 141 D 8.88 4.41 0.00 2.73 2.82 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 0.00 142 Q 8.24 4.33 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 143 D 7.64 4.42 0.00 2.82 2.75 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 0.00 144 E 8.06 4.52 0.00 2.18 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 2.27 2.38 0.00 145 L 8.60 4.07 0.00 1.60 1.61 1.03 1.06 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 0.00 146 I 8.57 4.39 1.87 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 1.30 0.88 0.96 0.00 0.00 147 A 7.61 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.62 4.86 2.07 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 0.69 0.00 0.00 0.90 0.00 0.00 149 G 8.85 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.23 5.25 0.00 3.73 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 0.00 151 V 9.20 4.88 2.25 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 0.97 0.00 0.00 1.01 0.00 0.00 152 S 9.01 5.33 0.00 3.72 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 0.00 153 Y 9.05 5.00 0.00 3.14 3.09 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 0.00 154 I 8.86 5.64 1.92 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 1.41 2.05 0.99 0.00 0.00 155 L 8.36 4.90 0.00 1.35 1.49 0.40 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.44 4.01 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.