NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.2573 8.3401 119.6838 55.5469 30.9912 174.5410 10 A 4.1482 7.4449 117.5706 49.8988 21.5081 173.2932 11 P 4.1741 0.0000 0.0000 62.4018 32.3757 175.1071 12 K 3.8264 8.6088 124.9614 56.7558 32.5492 175.3977 13 E 4.4724 8.6510 127.0749 55.0655 30.3059 175.0573 14 V 4.2218 8.6139 127.6935 61.9907 33.7683 174.4883 15 R 5.0558 9.0120 126.6326 55.0440 31.9994 175.2189 16 C 5.3944 9.3602 121.2236 57.7886 32.7390 172.6660 17 K 5.0505 8.8869 122.6407 54.9220 34.3767 174.7939 18 I 4.9408 8.9567 128.3575 59.6680 39.7812 174.6388 19 V 4.7596 9.0966 127.0627 61.4478 34.3443 174.0669 20 T 4.9817 8.7111 125.0513 62.0808 70.5729 173.7582 21 I 4.6274 8.5204 129.1236 60.6831 37.7242 175.3475 22 S 4.5971 8.4818 119.3541 57.8687 65.3603 175.1898 23 D 4.6977 9.0680 125.1197 55.0745 41.3533 177.1049 24 T 4.4989 7.5834 107.4461 61.9110 70.9193 175.0569 25 R 4.1202 8.1832 121.0512 56.3082 30.7336 175.3994 26 T 4.7483 8.6409 112.4013 60.0542 72.1162 175.3577 27 E 4.1781 8.8672 116.9649 59.1452 29.6781 176.6052 28 E 4.2360 7.8398 116.5602 58.4552 29.6203 177.5983 29 T 4.4942 7.6003 105.9010 61.3228 70.0321 175.4438 30 D 4.6935 7.9630 123.6961 53.3924 38.0994 175.8072 31 K 3.9508 7.9916 124.8598 59.3229 32.7830 177.9462 32 S 4.2484 8.1192 115.0838 61.5092 62.9529 176.7604 33 G 3.8086 8.6369 110.0392 47.3128 0.0000 175.8759 34 Q 3.9212 8.0633 120.4383 58.5682 28.6375 178.4966 35 L 3.9575 8.1278 121.5004 58.1465 42.1461 178.9204 36 L 3.9798 8.0774 118.9716 58.1086 41.4563 179.0861 37 H 4.1816 8.0685 117.5870 59.2520 29.7543 177.2383 38 E 3.9150 8.2279 120.3657 59.3897 29.4473 179.2884 39 L 3.9847 8.2174 119.3146 57.7680 41.5995 179.6790 40 L 4.0319 8.0006 118.8063 57.6192 41.6347 179.3183 41 K 4.0270 8.3349 119.8863 59.7611 31.9304 178.4127 42 E 3.9549 8.2086 117.8621 58.9050 29.6223 177.7500 43 A 4.2920 7.6151 118.0003 52.3193 18.7533 177.9929 44 G 3.7342 7.9697 105.8314 45.3785 0.0000 173.1637 45 H 4.9395 7.8774 117.2855 54.0663 31.3613 174.0111 46 K 4.6471 9.0178 119.4002 54.9738 35.8273 175.0939 47 V 4.7973 8.4392 126.3065 61.8795 32.1778 175.2439 48 T 4.5749 8.6194 117.6658 61.7555 70.0511 174.3507 49 S 4.7346 7.7807 116.1062 57.7785 65.9640 172.2650 50 Y 5.6037 8.4063 126.4256 56.6576 41.8101 173.3257 51 E 4.1970 8.5850 122.3260 55.2669 33.5123 173.8924 52 I 4.7368 7.9201 122.3829 59.9757 38.7881 175.3999 53 V 4.5090 8.4423 120.5659 58.9268 34.7753 175.8194 54 K 4.2206 8.5702 122.1740 56.9177 32.7980 177.1663 55 D 4.8251 9.5134 124.6156 52.5968 39.3824 174.8755 56 D 4.7236 7.9548 120.3266 49.9763 42.8966 176.8365 57 K 3.7698 9.0271 122.5277 60.2633 31.9890 178.8206 58 E 3.9603 8.1792 117.8452 59.5325 29.4167 179.4662 59 S 4.1299 9.1162 115.5306 61.4791 62.8851 176.8185 60 I 3.6844 7.7695 122.4722 64.5487 36.8328 178.4802 61 Q 3.9889 8.3212 119.1559 59.0329 28.4757 178.7017 62 Q 3.9315 8.2907 120.3418 59.1946 29.1151 178.3189 63 A 3.9750 8.0796 121.8275 54.9864 18.3674 179.8586 64 V 3.5300 7.8656 116.7871 66.2692 31.6754 178.3914 65 L 4.0600 8.2693 118.7161 57.5821 41.1606 179.3606 66 A 4.1759 8.1767 120.5602 55.0729 18.6124 179.6260 67 G 3.6847 8.1206 104.1869 48.0555 0.0000 175.1714 68 Y 3.9795 7.9583 121.0889 60.7732 38.9073 177.5609 69 H 4.4344 8.2418 114.1623 55.6202 29.4671 175.2545 70 K 4.1610 7.4747 124.3438 55.3024 32.4873 176.9673 71 E 3.9110 8.9603 127.9967 58.7903 29.6100 176.6649 72 D 4.8873 7.8402 116.5674 53.0054 40.1175 175.8621 73 V 4.3708 7.5210 118.8623 62.2804 33.8703 174.3886 74 D 4.8763 9.2175 126.6531 54.9752 43.3484 176.5468 75 V 4.7800 7.5964 116.6920 61.0552 35.6889 173.9700 76 V 4.7593 8.7138 126.4600 61.1050 34.0839 174.0198 77 L 5.3569 9.0915 128.4661 53.1748 44.2113 175.6739 78 T 5.8600 9.3633 114.1863 59.0402 72.4037 172.7187 79 N 5.0170 8.6561 119.1979 52.6992 40.6499 174.3684 80 G 4.0329 8.9522 107.3409 46.1251 0.0000 174.2956 81 G 4.3873 9.0034 104.8001 46.3318 0.0000 173.7216 82 T 4.3024 7.6366 110.1155 59.7387 70.2353 174.3982 83 G 4.2673 7.7990 112.1437 45.3231 0.0000 172.3027 84 I 4.1288 7.7620 111.8439 61.0842 38.4644 176.1083 85 T 4.3265 8.0900 112.8328 60.4545 69.8349 175.6612 86 K 3.9735 8.4936 123.0518 59.2868 32.2282 177.6570 87 R 4.1143 7.4929 112.1836 56.7615 29.7566 175.8032 88 D 4.8076 7.7748 120.0002 53.5111 41.0964 176.2996 89 V 4.4595 8.0912 115.6959 60.6888 33.6593 177.7341 90 T 3.8640 7.9392 119.2933 66.8837 68.1836 176.3059 91 I 3.6941 7.7329 120.8743 64.5855 37.1047 178.2305 92 E 3.9593 8.1694 118.5571 59.2453 29.1241 179.0908 93 A 3.9640 8.0630 120.1451 55.2295 18.7334 179.6221 94 V 3.6537 8.0185 116.9021 66.0467 31.4981 177.9073 95 S 4.0339 8.4597 113.1659 61.6470 61.9071 176.1525 96 A 4.0172 7.6815 121.7593 54.5482 18.1242 178.7226 97 L 4.2395 7.6870 115.8558 54.8058 42.6044 177.3162 98 L 4.2764 7.0161 119.4695 54.7082 42.2909 176.9613 99 D 4.4194 9.2508 124.1976 56.4859 41.2799 177.1240 100 K 4.4472 7.5558 119.0111 54.3178 34.9301 174.3798 101 E 4.5643 8.7647 127.2960 55.8081 30.4912 177.3638 102 I 4.2252 8.3158 129.0264 59.8501 35.6664 176.6371 103 V 3.8645 8.1149 118.1204 64.1860 31.6365 177.8033 104 G 3.7944 8.2509 104.8704 47.3418 0.0000 175.3073 105 F 4.5218 8.5251 123.3709 61.4588 39.5669 177.3545 106 G 3.5026 8.2008 104.7511 47.7178 0.0000 175.0753 107 E 3.9505 7.8469 119.4713 59.4239 29.6701 179.3282 108 L 4.1341 8.0201 117.7446 57.4522 41.9299 179.0469 109 F 4.2298 8.3009 121.0247 61.2399 39.1917 178.1536 110 R 3.9180 7.7234 114.8232 56.8426 29.5965 178.5721 *112 I 4.0633 7.7347 122.0231 61.5791 39.3862 178.2824 113 S 3.9247 7.8178 116.3021 61.4652 62.5595 176.1517 114 Y 4.0274 8.0643 122.2235 60.8654 38.4135 178.1798 115 L 4.0031 7.9929 117.9045 56.7290 41.9967 177.4891 116 E 4.5576 8.3879 115.5583 55.8625 31.3815 175.5382 117 D 4.5524 8.0104 115.1962 54.5018 42.6445 175.1315 118 I 4.0669 8.2973 112.0241 60.0148 40.1325 177.5816 119 G 3.7366 7.5988 110.8437 46.6037 0.0000 176.6754 120 S 4.4329 8.8659 116.1273 61.3534 62.7969 176.3278 121 S 4.1641 7.6985 116.3040 61.1924 63.3330 175.3543 122 A 4.6311 8.1017 125.5017 51.5338 16.2111 178.4109 *124 L 4.3671 7.5511 119.7094 54.1020 44.2734 178.5458 125 S 4.4576 7.8806 116.3059 58.4179 63.4226 173.4311 126 R 4.7528 8.2757 121.8005 54.5220 33.2317 174.7333 127 A 4.6761 8.2256 122.5233 51.4522 22.1186 175.1063 128 I 4.8745 8.6659 119.7322 59.9765 42.0358 173.8887 129 G 4.2017 8.6420 113.4673 44.8176 0.0000 171.3748 130 G 4.2941 7.9709 107.8066 46.1469 0.0000 172.1162 131 T 4.9777 8.0757 109.9410 60.2589 71.9245 174.5757 132 I 4.3546 8.3349 123.4189 59.7547 40.4060 175.3072 133 G 3.7756 9.3047 120.3772 47.2959 0.0000 173.3577 134 R 4.4343 8.8070 124.1429 55.9139 30.2447 175.4540 135 K 4.8914 8.1267 118.0267 54.4891 36.2102 175.2447 136 V 4.7758 8.0548 118.3639 59.9875 35.1182 174.7216 137 V 4.7674 8.5364 121.5262 61.1438 34.9715 174.1442 138 F 4.9965 9.0749 125.5651 55.8022 42.2379 174.2695 139 S 5.6127 9.2584 119.4793 55.3951 66.4092 171.8480 *141 P 4.5345 0.0000 0.0000 62.3877 32.2015 177.2468 142 G 3.7916 8.5058 107.8480 47.5373 0.0000 175.3173 143 S 4.3654 7.9307 116.0242 58.1097 65.0816 175.2874 144 S 4.2977 8.7491 119.1912 61.6152 62.7581 177.0241 145 G 3.6129 8.1170 108.7773 47.4629 0.0000 175.4818 146 A 4.2392 8.0216 122.7208 54.9513 18.2392 179.8287 147 V 3.5589 7.6390 115.6141 66.2243 31.7091 177.8486 148 R 4.0493 8.1629 117.4148 59.2777 30.1186 177.9823 149 L 4.1652 8.0974 119.8418 58.0913 42.1020 179.0631 150 A 4.3866 8.1472 116.5898 53.7045 17.8905 178.4922 *152 N 4.6083 7.9869 118.1760 54.2618 40.5052 176.1344 153 K 4.2719 8.3296 116.2847 57.9688 32.5896 177.2347 154 L 4.6392 7.8778 115.7160 56.5601 44.2214 178.7167 155 I 3.1798 7.9505 119.0964 64.3201 37.2915 178.3916 156 L 3.9651 7.9772 118.4781 57.5095 41.5287 177.2960 157 P 4.3683 0.0000 0.0000 64.6483 31.5117 176.8015 158 E 4.5615 7.5043 115.6120 56.1033 31.3051 177.7222 159 L 4.0964 8.2637 120.4314 58.0664 41.6710 179.6431 160 G 3.6616 8.0244 104.6167 48.1288 0.0000 175.2126 161 H 4.3562 8.0582 118.2005 58.6554 28.7955 177.7778 162 I 3.7803 8.1148 121.9069 64.7382 37.0551 178.5773 163 T 3.7944 8.0051 110.5904 64.6991 68.4151 176.0628 164 F 4.1466 8.3254 123.3324 61.3136 39.2913 176.9194 165 E 3.8934 8.2269 116.6724 59.5097 29.3315 179.1916 166 L 4.0875 7.9017 117.9262 57.3621 41.7781 178.3731 167 H 4.6281 7.7430 114.6988 56.7878 29.0750 175.9747 168 R 4.0637 7.3660 122.1460 56.3928 29.6372 176.0292 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 Q 8.34 4.26 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 10 A 7.44 4.15 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 11 P 0.00 4.17 0.00 2.02 2.02 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 12 K 8.61 3.83 0.00 1.74 1.77 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 13 E 8.65 4.47 0.00 2.03 1.88 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 2.27 2.49 0.00 14 V 8.61 4.22 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 1.01 0.00 0.00 0.94 0.00 0.00 15 R 9.01 5.06 0.00 1.93 1.95 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 16 C 9.36 5.39 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.89 5.05 0.00 1.83 1.67 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.47 7.81 18 I 8.96 4.94 2.10 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 1.15 0.64 1.08 0.00 0.00 19 V 9.10 4.76 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 0.98 0.00 0.00 0.95 0.00 0.00 20 T 8.71 4.98 4.31 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 1.30 0.00 0.00 21 I 8.52 4.63 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 1.12 0.54 0.95 0.00 0.00 22 S 8.48 4.60 0.00 3.86 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 23 D 9.07 4.70 0.00 2.71 2.69 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 0.00 0.00 0.00 0.00 24 T 7.58 4.50 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 25 R 8.18 4.12 0.00 1.83 1.95 0.00 3.39 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 26 T 8.64 4.75 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 1.22 0.00 0.00 27 E 8.87 4.18 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 28 E 7.84 4.24 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 29 T 7.60 4.49 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 30 D 7.96 4.69 0.00 3.09 2.73 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 31 K 7.99 3.95 0.00 1.88 1.81 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.54 7.81 32 S 8.12 4.25 0.00 4.04 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 33 G 8.64 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.06 3.92 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 35 L 8.13 3.96 0.00 1.84 1.85 0.92 0.61 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 36 L 8.08 3.98 0.00 1.93 1.72 0.96 0.86 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 37 H 8.07 4.18 0.00 3.10 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.23 3.91 0.00 2.17 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 2.26 2.60 0.00 39 L 8.22 3.98 0.00 1.68 1.73 0.93 0.66 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 40 L 8.00 4.03 0.00 1.94 1.76 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.33 4.03 0.00 1.91 1.98 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 42 E 8.21 3.95 0.00 2.04 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 2.31 2.36 0.00 43 A 7.62 4.29 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 44 G 7.97 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 0.00 0.00 0.00 45 H 7.88 4.94 0.00 3.16 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.02 4.65 0.00 1.78 1.60 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.37 7.81 47 V 8.44 4.80 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 0.87 0.00 0.00 0.76 0.00 0.00 48 T 8.62 4.57 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 1.26 0.00 0.00 49 S 7.78 4.73 0.00 3.90 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 50 Y 8.41 5.60 0.00 2.87 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 51 E 8.59 4.20 0.00 1.88 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 2.11 2.17 0.00 52 I 7.92 4.74 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.34 0.89 0.00 0.00 53 V 8.44 4.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 54 K 8.57 4.22 0.00 1.63 1.74 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 D 9.51 4.83 0.00 2.63 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 56 D 7.95 4.72 0.00 2.89 2.69 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 0.00 0.00 0.00 0.00 57 K 9.03 3.77 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.56 7.81 58 E 8.18 3.96 0.00 2.21 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 2.39 2.46 0.00 59 S 9.12 4.13 0.00 4.05 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 60 I 7.77 3.68 2.02 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 1.52 0.91 0.91 0.00 0.00 61 Q 8.32 3.99 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 62 Q 8.29 3.93 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 63 A 8.08 3.98 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 64 V 7.87 3.53 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 1.01 0.00 0.00 0.96 0.00 0.00 65 L 8.27 4.06 0.00 1.83 1.80 0.91 0.85 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 66 A 8.18 4.18 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 67 G 8.12 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 0.00 0.00 0.00 68 Y 7.96 3.98 0.00 2.93 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 69 H 8.24 4.43 0.00 3.23 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.47 4.16 0.00 1.98 1.71 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.36 7.81 71 E 8.96 3.91 0.00 1.93 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 2.26 2.27 0.00 72 D 7.84 4.89 0.00 2.80 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 73 V 7.52 4.37 2.32 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 0.87 0.00 0.00 0.93 0.00 0.00 74 D 9.22 4.88 0.00 2.69 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 75 V 7.60 4.78 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 1.18 0.00 0.00 0.96 0.00 0.00 76 V 8.71 4.76 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 1.01 0.00 0.00 0.96 0.00 0.00 77 L 9.09 5.36 0.00 1.60 1.58 1.03 0.47 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 78 T 9.36 5.86 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 1.23 0.00 0.00 79 N 8.66 5.02 0.00 2.99 2.93 0.00 0.00 6.26 6.93 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 80 G 8.95 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 81 G 9.00 4.39 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 0.00 82 T 7.64 4.30 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 1.27 0.00 0.00 83 G 7.80 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 84 I 7.76 4.13 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 1.48 0.69 0.93 0.00 0.00 85 T 8.09 4.33 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 1.24 0.00 0.00 86 K 8.49 3.97 0.00 1.74 1.89 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.43 7.81 87 R 7.49 4.11 0.00 2.09 2.03 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 88 D 7.77 4.81 0.00 2.92 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 89 V 8.09 4.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 90 T 7.94 3.86 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 1.23 0.00 0.00 91 I 7.73 3.69 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.58 0.93 0.00 0.00 92 E 8.17 3.96 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 93 A 8.06 3.96 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 94 V 8.02 3.65 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 0.96 0.00 0.00 0.97 0.00 0.00 95 S 8.46 4.03 0.00 3.99 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 96 A 7.68 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 P 0.00 4.53 0.00 2.12 2.08 0.00 3.44 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 142 G 8.51 3.79 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 0.00 0.00 0.00 143 S 7.93 4.37 0.00 4.09 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 0.00 144 S 8.75 4.30 0.00 4.09 4.19 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 0.00 0.00 0.00 0.00 145 G 8.12 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 0.00 146 A 8.02 4.24 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 0.00 147 V 7.64 3.56 2.27 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 0.86 0.00 0.00 1.04 0.00 0.00 148 R 8.16 4.05 0.00 1.97 1.98 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 149 L 8.10 4.17 0.00 1.92 1.93 0.80 1.10 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 0.00 150 A 8.15 4.39 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.61 0.00 2.87 2.94 0.00 0.00 7.09 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 0.00 153 K 8.33 4.27 0.00 1.90 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.55 7.81 154 L 7.88 4.64 0.00 1.97 1.78 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.95 3.18 1.64 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.27 0.51 0.00 0.00 156 L 7.98 3.97 0.00 1.60 1.75 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.37 0.00 2.05 2.12 0.00 3.70 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 2.08 2.11 0.00 158 E 7.50 4.56 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 159 L 8.26 4.10 0.00 1.62 1.67 0.75 0.72 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 0.00 160 G 8.02 3.66 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 0.00 161 H 8.06 4.36 0.00 3.41 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.11 3.78 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.83 0.93 0.00 0.00 163 T 8.01 3.79 4.32 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 1.31 0.00 0.00 164 F 8.33 4.15 0.00 3.32 3.37 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 0.00 165 E 8.23 3.89 0.00 2.19 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 2.64 2.58 0.00 166 L 7.90 4.09 0.00 1.43 1.71 0.92 0.90 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 0.00 167 H 7.74 4.63 0.00 3.07 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.37 4.06 0.00 1.72 1.32 0.00 2.51 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.