NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4737 8.1627 120.2635 55.2113 34.1682 173.4354 2 V 4.6722 8.2668 120.8482 60.7588 34.1015 173.2558 3 R 4.7070 9.3137 126.6730 54.3004 34.0677 174.6973 4 G 4.2524 8.8505 110.4368 45.9049 0.0000 172.8356 5 I 4.8496 8.9273 123.0804 59.3524 40.5466 174.9196 6 R 5.0356 9.0116 125.3869 54.8734 32.8618 175.3903 7 G 4.7738 8.5569 107.4467 44.8024 0.0000 171.4952 8 A 5.2542 8.0801 120.9324 50.9390 22.8886 175.0828 9 I 5.0420 8.7015 119.9551 60.1818 41.9500 173.5018 10 T 5.7088 8.4282 116.7387 59.4594 71.5626 172.9668 11 V 4.5492 8.2146 114.6481 59.2945 35.9635 174.7771 12 E 4.6577 8.2518 119.0208 55.1865 30.1607 174.7052 13 E 4.8337 7.6750 110.7459 55.4608 31.4700 176.8659 14 D 4.6432 8.7362 124.6710 53.3321 39.5813 175.2025 15 T 4.7010 7.4208 112.7379 57.8975 73.6034 172.8305 16 P 4.0426 0.0000 0.0000 65.9396 31.3396 178.8587 17 E 3.8730 8.0246 116.3907 59.3785 29.4773 179.1855 18 A 3.9759 8.0656 120.7651 55.0704 18.4800 179.7973 19 I 3.6582 8.0508 118.6803 64.8341 37.2148 178.4097 20 H 4.1590 8.3261 117.0367 58.8371 28.5513 177.4459 21 Q 3.9368 8.2972 121.2369 59.3685 28.8301 178.5077 22 A 4.0133 7.8323 121.0609 55.4005 18.3382 179.7655 23 T 3.8583 7.8850 114.0869 66.8331 68.5785 176.9589 24 R 3.9230 8.3852 120.3710 59.3485 30.1273 178.6582 25 E 3.9222 8.1595 118.8536 59.1582 29.5525 178.6119 26 L 3.8881 8.0862 120.3043 58.1175 42.1960 178.7831 27 L 3.9358 8.2177 119.2279 57.9767 41.5619 179.5428 28 L 4.0118 8.0030 118.7382 57.7643 41.4982 179.6224 29 K 3.9336 8.0911 119.5626 59.5769 31.7470 178.8470 30 M 3.9807 8.2634 119.3945 58.2417 31.7425 178.8106 31 L 3.6319 7.8211 119.1299 57.5720 41.8654 179.0608 32 E 3.8185 8.2958 119.1544 59.2963 29.4124 178.7575 33 A 4.0037 8.2031 120.6869 54.4935 18.5364 177.7315 34 N 4.7242 7.3123 111.0239 52.5167 38.8308 175.1568 35 G 3.9072 7.9104 105.3648 46.3816 0.0000 173.8429 36 I 4.0855 7.6604 120.9550 60.5001 37.5162 175.8963 37 Q 4.5058 8.5626 122.5287 55.2093 29.9352 174.7225 38 S 4.3114 7.5890 110.8790 57.2109 65.6322 173.0908 39 Y 4.8251 7.9775 119.7769 58.2079 38.9538 177.8015 40 E 4.0097 7.8419 119.3719 59.0819 29.7981 177.6662 41 E 4.4496 8.2373 115.9910 56.1483 29.9962 174.9689 42 L 4.9419 8.0267 120.4508 53.7592 41.4288 176.5860 43 A 4.2422 9.2638 127.7956 54.7151 18.9471 176.9582 44 A 4.4858 7.3840 113.8752 51.6547 22.8682 175.4861 45 V 4.6033 8.4373 118.7935 61.2380 35.0499 174.1729 46 I 4.9926 8.5427 128.6523 59.5795 39.7700 174.7131 47 F 5.5318 9.5827 125.2609 55.9778 42.6284 174.4885 48 T 5.8963 8.8606 110.1518 59.4924 72.4531 173.1456 49 V 5.1083 8.2667 115.8725 59.5852 35.8819 175.3465 50 T 4.3660 8.3602 113.9225 61.2890 69.7769 174.9967 51 E 4.0362 9.0143 123.1354 59.4205 29.4818 177.7905 52 D 4.8849 7.7155 117.2864 53.1100 39.2556 175.5480 53 L 4.9934 7.7210 119.5633 54.4871 44.6013 176.9383 54 T 4.5678 8.9914 114.7361 61.6021 69.3580 175.0176 55 S 4.2917 7.7490 119.3856 60.6855 63.8852 173.8724 56 A 4.3076 7.1298 120.4709 50.7493 21.7858 175.3373 57 F 4.5774 8.3262 119.5473 56.4519 39.8194 175.3774 58 P 4.0971 0.0000 0.0000 65.4074 31.0262 178.4319 59 A 3.2687 7.4720 118.9860 54.7613 18.1108 179.0471 60 E 3.8282 8.0166 117.7571 59.1827 29.6619 178.7987 61 A 4.5463 8.1731 122.2503 54.2498 18.3135 179.4799 62 A 4.0215 7.6038 119.3706 55.3057 18.4436 180.0704 63 R 3.8536 7.7433 116.1755 59.4545 30.3212 179.0892 64 Q 4.1237 8.0597 118.0459 58.0096 28.3302 177.7974 65 I 4.2231 7.0551 110.2205 60.5623 37.7465 176.2105 66 G 4.0490 8.1514 107.6606 46.8630 0.0000 173.7755 67 M 4.1131 7.8097 118.2614 55.1606 32.2782 178.4125 68 H 4.2521 8.0594 116.5320 58.1388 28.8035 176.0343 69 R 4.2876 7.6543 116.7896 56.2264 30.6241 176.0400 70 V 4.0146 7.2748 119.2135 60.7867 32.2245 173.7220 71 P 4.4363 0.0000 0.0000 62.9403 32.1139 175.2935 72 L 5.4414 8.4865 123.3757 53.0825 45.4412 175.6172 73 L 4.8678 8.8164 122.7900 53.6932 45.9453 174.7188 74 S 5.5038 8.6884 118.5732 56.8065 66.1813 172.5209 75 A 4.8356 9.1804 122.8327 50.8147 23.3006 174.7660 76 R 4.8606 8.4479 117.5670 55.1590 31.5668 176.6316 77 E 4.3725 8.7364 124.0103 55.2489 31.0100 176.2887 78 V 3.7720 9.1052 126.3345 62.1860 32.1734 175.8438 79 P 4.5743 0.0000 0.0000 62.0588 29.6408 174.8412 80 V 3.7770 7.5268 123.8424 62.1835 32.5681 173.4378 81 P 4.3738 0.0000 0.0000 64.4951 31.4331 176.6512 82 G 3.9360 8.9986 111.0211 45.4029 0.0000 173.4832 83 S 4.3873 7.7734 113.9636 56.8263 64.0001 173.9166 84 L 3.9070 8.4050 123.5919 55.0530 42.0394 175.3100 85 P 4.4852 0.0000 0.0000 62.5613 33.2641 175.7642 86 R 3.8458 8.8638 115.9375 56.4245 28.0340 175.9521 87 V 4.9503 8.0811 117.4778 61.1025 35.1395 175.0135 88 I 4.9191 9.0199 128.6095 59.7509 39.5055 174.7809 89 R 5.1968 9.1227 126.2836 54.3727 33.5178 175.2102 90 V 4.6449 8.7435 121.5398 60.9646 35.4111 174.1964 91 L 4.7929 8.8959 128.5093 53.3671 44.7492 174.5790 92 A 4.8513 8.9146 129.3871 50.5304 21.2793 175.5811 93 L 4.8998 8.9057 122.6851 53.0127 43.7864 175.2914 94 W 5.3386 9.1486 135.0000 55.5542 33.0450 174.4474 95 N 5.0715 9.3907 126.1493 53.6293 38.1491 174.3656 96 T 4.0699 8.1461 117.3874 61.0420 70.6733 172.7073 97 D 4.6281 8.1764 123.6681 53.1097 39.8458 176.5237 98 T 3.8997 7.1723 117.7372 62.9306 68.9563 172.8640 99 P 4.3487 0.0000 0.0000 62.2790 32.2989 176.8530 100 Q 3.9869 8.9767 123.0103 59.5579 28.8036 178.4383 101 D 4.6586 8.0703 113.5134 54.6459 39.6973 176.5506 102 R 4.4090 8.0554 118.6286 56.3034 31.0573 176.6539 103 V 4.0614 7.4402 119.1542 62.5129 32.0868 175.1309 104 R 4.5023 9.2280 126.7500 55.0189 31.4119 175.4019 105 H 4.9892 8.5371 119.4520 54.0750 31.4154 174.2179 106 V 4.2721 8.1641 121.1569 61.2571 34.0789 173.7866 107 Y 4.9992 8.6899 125.2012 56.4091 40.2902 174.9366 108 L 4.7769 9.0454 124.9069 52.6003 45.3038 178.5807 109 R 3.5683 8.7383 120.2494 57.5653 29.1177 180.2709 110 E 4.0595 8.9330 127.3539 59.6603 29.2410 177.5817 111 A 4.2180 8.0449 120.3205 54.1352 18.1777 179.2546 112 V 3.8815 7.7494 116.7163 65.7583 31.2782 177.3832 113 R 4.1885 7.6363 115.1293 57.1669 30.0927 176.7681 114 L 4.2791 7.9400 118.4326 54.7368 42.6301 176.5892 115 R 2.7305 6.8153 121.1361 55.8025 30.6168 175.1108 *116 P 4.2330 0.0000 0.0000 62.2393 31.4596 175.2710 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.47 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 2 V 8.27 4.67 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 0.81 0.00 0.00 0.96 0.00 0.00 3 R 9.31 4.71 0.00 1.77 1.83 0.00 3.31 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.68 0.00 4 G 8.85 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 0.00 0.00 0.00 0.00 5 I 8.93 4.85 1.81 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.83 0.00 0.00 6 R 9.01 5.04 0.00 1.63 1.73 0.00 3.32 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 7 G 8.56 4.77 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 0.00 0.00 0.00 8 A 8.08 5.25 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 9 I 8.70 5.04 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 1.31 0.82 1.00 0.00 0.00 10 T 8.43 5.71 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 1.27 0.00 0.00 11 V 8.21 4.55 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 0.94 0.00 0.00 12 E 8.25 4.66 0.00 1.87 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 2.17 2.25 0.00 13 E 7.67 4.83 0.00 2.05 1.86 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 2.01 2.10 0.00 14 D 8.74 4.64 0.00 2.77 2.62 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 15 T 7.42 4.70 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 1.27 0.00 0.00 16 P 0.00 4.04 0.00 2.06 2.00 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 17 E 8.02 3.87 0.00 2.01 1.97 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 2.37 2.40 0.00 18 A 8.07 3.98 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 19 I 8.05 3.66 1.86 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 1.72 1.18 0.92 0.00 0.00 20 H 8.33 4.16 0.00 3.37 3.49 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.30 3.94 0.00 2.24 2.11 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 2.37 2.54 0.00 22 A 7.83 4.01 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 23 T 7.89 3.86 4.36 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 1.35 0.00 0.00 24 R 8.39 3.92 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 25 E 8.16 3.92 0.00 2.16 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 2.31 2.32 0.00 26 L 8.09 3.89 0.00 1.87 1.82 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.22 3.94 0.00 1.86 1.70 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.00 4.01 0.00 1.83 1.73 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.09 3.93 0.00 1.93 1.91 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.47 7.81 30 M 8.26 3.98 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 31 L 7.82 3.63 0.00 1.81 1.80 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.30 3.82 0.00 2.07 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 2.28 2.30 0.00 33 A 8.20 4.00 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 34 N 7.31 4.72 0.00 2.20 2.28 0.00 0.00 6.96 7.53 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 35 G 7.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.66 4.09 1.69 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.15 0.77 0.00 0.00 37 Q 8.56 4.51 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.43 0.00 38 S 7.59 4.31 0.00 3.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.98 4.83 0.00 3.04 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 40 E 7.84 4.01 0.00 1.97 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 0.00 2.39 2.33 0.00 41 E 8.24 4.45 0.00 2.25 2.34 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 2.44 2.36 0.00 42 L 8.03 4.94 0.00 1.68 1.65 0.95 0.56 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 43 A 9.26 4.24 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 44 A 7.38 4.49 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 45 V 8.44 4.60 1.97 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 0.25 0.00 0.00 0.82 0.00 0.00 46 I 8.54 4.99 1.79 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 1.22 0.45 0.97 0.00 0.00 47 F 9.58 5.53 0.00 2.92 2.95 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 48 T 8.86 5.90 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 1.25 0.00 0.00 49 V 8.27 5.11 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 0.83 0.00 0.00 1.01 0.00 0.00 50 T 8.36 4.37 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 51 E 9.01 4.04 0.00 2.03 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 2.38 2.32 0.00 52 D 7.72 4.88 0.00 2.97 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 53 L 7.72 4.99 0.00 1.70 1.56 0.93 1.17 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 54 T 8.99 4.57 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 1.18 0.00 0.00 55 S 7.75 4.29 0.00 4.11 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 0.00 56 A 7.13 4.31 1.17 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 0.00 0.00 57 F 8.33 4.58 0.00 3.07 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 58 P 0.00 4.10 0.00 1.53 1.94 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 59 A 7.47 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.02 3.83 0.00 2.12 1.78 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 2.33 2.27 0.00 61 A 8.17 4.55 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 62 A 7.60 4.02 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 63 R 7.74 3.85 0.00 1.94 1.98 0.00 3.30 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.63 0.00 64 Q 8.06 4.12 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 65 I 7.06 4.22 1.97 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 1.43 0.50 0.93 0.00 0.00 66 G 8.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.81 4.11 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.00 68 H 8.06 4.25 0.00 3.22 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.65 4.29 0.00 1.82 2.04 0.00 3.40 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 1.70 1.61 0.00 70 V 7.27 4.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.87 0.00 0.00 71 P 0.00 4.44 0.00 2.11 1.97 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 72 L 8.49 5.44 0.00 1.51 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.82 4.87 0.00 1.76 1.46 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.69 5.50 0.00 3.97 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 75 A 9.18 4.84 1.25 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 0.00 0.00 76 R 8.45 4.86 0.00 1.73 1.89 0.00 3.24 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 77 E 8.74 4.37 0.00 1.99 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 2.33 2.32 0.00 78 V 9.11 3.77 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 0.84 0.00 0.00 0.94 0.00 0.00 79 P 0.00 4.57 0.00 2.22 2.08 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 80 V 7.53 3.78 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 0.99 0.00 0.00 0.94 0.00 0.00 81 P 0.00 4.37 0.00 2.08 2.01 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 82 G 9.00 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 83 S 7.77 4.39 0.00 4.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.41 3.91 0.00 1.61 1.66 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.49 0.00 2.22 2.04 0.00 3.97 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 1.98 1.98 0.00 86 R 8.86 3.85 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.19 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 87 V 8.08 4.95 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 1.03 0.00 0.00 1.04 0.00 0.00 88 I 9.02 4.92 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 1.04 0.00 0.00 89 R 9.12 5.20 0.00 1.76 1.82 0.00 3.11 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 90 V 8.74 4.64 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 0.51 0.00 0.00 0.89 0.00 0.00 91 L 8.90 4.79 0.00 1.66 1.41 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.91 4.85 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 93 L 8.91 4.90 0.00 1.60 1.64 0.93 0.56 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 94 W 9.15 5.34 0.00 3.24 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 95 N 9.39 5.07 0.00 2.88 2.73 0.00 0.00 6.82 7.24 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 96 T 8.15 4.07 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 0.00 0.00 97 D 8.18 4.63 0.00 2.72 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 98 T 7.17 3.90 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 1.26 0.00 0.00 99 P 0.00 4.35 0.00 2.30 1.95 0.00 3.60 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 2.09 2.04 0.00 100 Q 8.98 3.99 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 101 D 8.07 4.66 0.00 2.83 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 0.00 102 R 8.06 4.41 0.00 1.96 2.04 0.00 3.34 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 103 V 7.44 4.06 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 1.10 0.00 0.00 104 R 9.23 4.50 0.00 1.73 1.81 0.00 3.37 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 105 H 8.54 4.99 0.00 3.16 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.16 4.27 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 1.00 0.00 0.00 0.85 0.00 0.00 107 Y 8.69 5.00 0.00 2.91 3.04 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 0.00 108 L 9.05 4.78 0.00 1.57 1.56 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.74 3.57 0.00 2.04 1.27 0.00 3.32 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 110 E 8.93 4.06 0.00 2.09 1.97 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 2.32 2.38 0.00 111 A 8.04 4.22 1.52 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 0.00 112 V 7.75 3.88 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 1.04 0.00 0.00 1.14 0.00 0.00 113 R 7.64 4.19 0.00 1.79 1.94 0.00 3.20 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 114 L 7.94 4.28 0.00 1.60 1.64 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 R 6.82 2.73 0.00 1.23 1.61 0.00 3.27 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 *116 P 0.00 4.23 0.00 1.88 1.84 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.