NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3668 8.1233 123.5847 52.3155 20.9593 178.8564 10 N 4.1177 8.2129 113.1988 56.3786 38.3873 175.8297 11 S 4.2897 8.8429 117.3684 61.7542 63.3879 176.5321 12 T 3.9112 7.7849 118.5811 66.4227 68.1314 177.0928 13 V 3.2619 7.5365 119.5626 65.9922 31.6916 177.8932 14 L 3.8204 8.3025 119.0430 57.7712 41.5807 179.4632 15 S 4.1202 8.2711 113.1463 61.2365 62.0840 175.9428 16 F 4.4413 7.8778 122.1073 61.8141 39.5115 176.6794 17 C 3.9516 8.4498 116.3855 62.4639 27.6555 175.7058 18 A 3.7417 8.1372 121.8726 54.8380 17.9290 178.7965 19 F 4.5221 7.1392 111.0614 56.4784 39.6434 176.2509 20 A 4.1342 7.2341 123.4835 51.7449 18.7354 179.5164 21 V 3.4859 8.2588 114.6604 63.8038 32.1207 176.6565 22 D 4.6690 7.5446 118.9357 50.2838 41.5857 173.1750 23 P 4.2088 0.0000 0.0000 65.3730 31.6459 177.0262 24 A 3.9904 8.1797 118.4689 55.5144 18.2393 179.4956 25 K 3.9250 8.2925 117.0827 59.2968 32.1903 178.7326 26 A 3.9960 7.9196 121.2238 55.5694 18.2290 179.0108 27 Y 4.3741 8.2404 117.8969 60.7235 38.8434 178.0715 28 K 3.8025 8.2576 120.6484 59.7134 32.0589 178.5777 29 D 4.3794 8.7512 119.5597 57.1685 40.7416 177.8675 30 Y 4.2106 8.5857 120.6307 61.0288 38.7259 178.5172 31 L 3.5176 8.0783 119.6810 57.4265 41.4688 179.1337 32 A 4.0204 7.6468 119.1395 53.9179 18.2850 178.5981 33 S 4.5764 7.2933 112.1153 57.8962 63.3642 174.8887 34 G 3.7874 8.0135 110.5459 44.7895 0.0000 174.4131 35 G 2.6103 6.8412 108.2350 45.1585 0.0000 172.8170 36 Q 4.4305 8.1917 120.7235 53.3566 30.3013 173.7776 37 P 4.5900 0.0000 0.0000 62.8583 31.9489 176.2509 38 I 3.7949 8.8533 124.1729 61.9198 37.4974 175.6312 39 T 4.6573 8.5701 114.9209 60.6541 71.1900 173.5564 40 N 4.4071 8.8118 116.5659 54.7916 35.2415 174.6467 41 C 4.4554 8.0399 114.4658 59.6130 29.3796 173.2594 42 V 4.3552 8.3667 115.5175 60.2376 32.8964 175.3857 43 K 4.5247 8.5767 124.8904 55.4542 33.3295 176.2769 44 M 4.2632 9.0796 125.0789 54.7439 33.2131 176.7906 45 L 4.2744 8.4570 125.1655 53.5433 41.0262 174.8830 46 C 4.7845 7.9001 119.3355 55.8534 32.3723 174.3530 47 T 4.1515 8.2520 108.0051 61.9965 69.1552 174.3537 48 H 4.7948 8.2804 118.3214 57.4208 25.8873 175.5121 49 T 4.5161 7.9409 105.9640 61.2665 68.9866 174.7647 50 G 3.8709 7.7931 111.7975 46.2131 0.0000 173.4096 51 T 4.0510 8.1643 108.0923 62.0248 69.1893 176.2032 52 G 3.9915 8.4779 110.2937 45.2725 0.0000 173.9177 53 Q 4.1200 7.5334 117.8968 55.9718 29.6672 176.6628 54 A 4.1100 9.4387 124.8009 54.6759 19.1271 177.4977 55 I 5.1468 7.4668 114.7111 59.7900 40.0145 175.0554 56 T 4.8528 9.0156 116.3379 60.0098 72.3677 175.3456 57 V 4.1389 8.6728 114.7089 63.2584 32.0283 176.3009 58 T 4.2658 7.4684 108.1742 58.9848 71.3616 171.6299 59 P 4.2376 0.0000 0.0000 63.6769 31.7124 176.5397 60 E 4.6350 10.4049 122.3033 55.9145 31.5605 175.0715 61 A 4.5813 7.7768 122.5659 52.3176 19.4657 178.0503 62 N 5.2842 8.7363 122.1979 52.2264 38.3562 175.4868 63 M 4.3129 8.6593 115.5422 57.1457 32.7628 176.1449 64 D 5.1164 9.6892 120.1371 53.8407 42.5415 175.4296 65 Q 5.1693 8.1008 115.7606 54.6038 33.3851 173.8426 66 E 4.7468 9.2915 119.6356 54.7359 33.4788 175.5615 67 S 5.2050 8.2434 118.0068 57.1960 65.4482 173.4758 68 F 5.2521 9.4294 124.1767 55.3298 41.9245 175.4444 69 G 3.5923 9.4138 108.8339 46.0843 0.0000 174.2422 70 G 3.8455 8.8371 110.5390 48.4536 0.0000 175.2533 71 A 3.9565 7.9335 121.1703 54.8823 18.3594 179.5989 72 S 4.0343 7.5297 111.6695 61.5431 63.1866 175.4589 73 C 4.2431 8.2485 118.2196 60.6058 29.4092 172.4734 74 C 4.4332 7.7750 119.7408 55.9465 42.1263 173.2293 75 L 3.5550 8.2705 130.5980 58.7214 41.4274 178.4411 76 Y 3.9991 7.0410 115.6125 61.2536 37.5038 179.1900 77 C 4.2827 7.9563 116.9360 59.7732 40.1467 176.0340 78 R 3.6516 7.6549 119.0526 58.5343 29.8029 177.7078 79 C 4.1536 7.9601 114.2797 58.8427 29.2586 172.8993 80 H 4.0244 7.4369 117.1352 56.8828 26.1915 172.8518 81 I 4.5960 7.7819 110.7850 58.8412 41.0318 174.4107 82 D 4.5791 8.2921 120.5704 54.3287 41.4892 175.1518 83 H 4.2692 8.2931 116.4399 53.6327 31.5870 172.3638 84 P 4.6992 0.0000 0.0000 62.3131 31.9822 175.8506 85 N 4.0130 8.0385 115.0987 56.3550 37.8868 174.9995 *89 F 3.9548 8.3918 121.3443 58.9194 41.3799 174.0373 90 C 3.6801 6.4481 127.0331 59.3170 29.0055 173.8502 91 D 4.6624 8.3135 121.0087 53.7237 39.5493 177.5427 92 L 4.3768 8.0156 120.6708 56.4859 42.8515 176.6920 93 K 3.8044 7.8410 117.2292 58.1517 32.1135 176.4801 94 G 3.9018 8.9393 113.8245 45.2920 0.0000 172.2881 95 K 4.7594 8.1309 119.6082 54.6292 36.0414 173.9225 96 Y 5.1349 9.0225 117.5209 56.8558 41.6295 174.9857 97 V 4.8766 8.6608 124.0157 61.6633 33.7111 174.3291 98 Q 5.1684 9.4560 127.7504 54.8316 29.9349 175.1050 99 I 4.0956 8.8098 125.3902 58.2509 40.6015 173.7833 100 P 4.5639 0.0000 0.0000 63.0482 32.0832 176.9274 101 T 3.8428 9.2266 121.5141 67.2329 68.4223 176.2126 102 T 4.1081 7.9272 107.2062 63.4941 68.6876 173.9145 103 C 4.7085 8.5090 118.6930 59.5326 29.7643 174.7622 104 A 4.3809 8.2099 121.2794 52.7256 17.4836 178.5459 105 N 4.6646 7.9104 115.3641 54.6202 39.0517 175.0011 106 D 4.7842 7.6684 118.1863 51.3132 41.6094 173.5621 107 P 3.9789 0.0000 0.0000 65.4944 31.3741 178.4868 108 V 4.0955 7.1379 117.9779 65.3568 31.2790 178.1707 109 G 3.9417 8.2990 106.5918 46.9409 0.0000 175.2775 110 F 3.6680 8.7429 123.8879 61.3413 39.0840 177.2926 111 T 3.6673 7.4416 107.1221 64.7313 68.4390 175.9522 112 L 4.1240 7.1230 120.3680 57.8141 41.8341 179.5240 113 R 3.9848 7.8880 116.4968 57.4874 30.1377 176.6793 114 N 4.9605 6.9369 114.2797 51.6454 41.2654 173.7734 115 T 4.8902 8.2995 115.5829 61.9516 71.9440 173.4858 116 V 4.2427 8.2598 125.1449 61.5315 32.7050 174.9860 117 C 4.2495 9.1622 129.9417 59.8150 31.6764 174.5648 118 T 3.8600 8.8004 117.8289 64.5588 68.2437 176.2014 119 V 3.8047 7.5377 119.8601 65.8066 31.9695 177.4248 120 C 4.2752 7.8287 114.5013 63.1561 28.4892 175.1730 121 G 3.9009 8.6747 108.2381 45.2244 0.0000 173.0575 122 M 4.4800 7.4534 118.9395 53.1450 34.0769 175.2223 123 W 4.9159 8.5150 120.7007 56.2894 29.8193 176.4023 124 K 4.1653 9.1556 124.1644 58.2836 31.8474 177.6679 125 G 3.9152 10.0181 111.4850 45.9538 0.0000 173.6767 126 Y 4.8546 8.6309 116.6969 54.2139 39.4149 173.3058 127 G 4.2641 8.7829 111.5534 46.1032 0.0000 172.3416 128 C 4.0386 8.1693 119.0887 60.6266 32.0916 173.3907 129 S 4.0983 8.7510 121.1948 59.2472 62.5912 172.0593 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 A 8.12 4.37 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 10 N 8.21 4.12 0.00 2.80 2.85 0.00 0.00 7.09 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 11 S 8.84 4.29 0.00 3.87 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 12 T 7.78 3.91 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 1.20 0.00 0.00 13 V 7.54 3.26 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 0.71 0.00 0.00 0.68 0.00 0.00 14 L 8.30 3.82 0.00 1.63 1.57 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.27 4.12 0.00 4.02 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 16 F 7.88 4.44 0.00 3.10 3.23 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 17 C 8.45 3.95 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.14 3.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.14 4.52 0.00 3.10 3.07 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 0.00 0.00 0.00 0.00 20 A 7.23 4.13 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 21 V 8.26 3.49 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 0.70 0.00 0.00 0.92 0.00 0.00 22 D 7.54 4.67 0.00 2.61 2.47 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 0.00 23 P 0.00 4.21 0.00 2.30 2.04 0.00 3.76 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 2.23 2.38 0.00 24 A 8.18 3.99 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 25 K 8.29 3.93 0.00 1.89 1.97 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.48 7.81 26 A 7.92 4.00 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 27 Y 8.24 4.37 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.26 3.80 0.00 1.95 1.97 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 29 D 8.75 4.38 0.00 2.95 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 30 Y 8.59 4.21 0.00 3.26 3.23 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 31 L 8.08 3.52 0.00 1.59 1.45 0.40 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.65 4.02 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 33 S 7.29 4.58 0.00 3.80 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 34 G 8.01 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 35 G 6.84 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 36 Q 8.19 4.43 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 37 P 0.00 4.59 0.00 2.21 2.24 0.00 3.78 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 2.05 2.14 0.00 38 I 8.85 3.79 1.72 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 0.79 0.00 0.00 39 T 8.57 4.66 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 1.32 0.00 0.00 40 N 8.81 4.41 0.00 2.92 3.04 0.00 0.00 6.85 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.04 4.46 0.00 3.11 2.91 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 42 V 8.37 4.36 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 0.72 0.00 0.00 1.00 0.00 0.00 43 K 8.58 4.52 0.00 1.52 1.50 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 1.26 7.81 44 M 9.08 4.26 0.00 1.80 1.94 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 2.82 2.86 0.00 45 L 8.46 4.27 0.00 1.55 1.57 0.91 0.87 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 46 C 7.90 4.78 0.00 2.96 2.76 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 47 T 8.25 4.15 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 1.20 0.00 0.00 48 H 8.28 4.79 0.00 3.36 3.59 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.94 4.52 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 50 G 7.79 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 0.00 0.00 0.00 51 T 8.16 4.05 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 1.34 0.00 0.00 52 G 8.48 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.53 4.12 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 54 A 9.44 4.11 -0.13 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 55 I 7.47 5.15 1.80 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 1.49 0.59 0.98 0.00 0.00 56 T 9.02 4.85 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 1.23 0.00 0.00 57 V 8.67 4.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 58 T 7.47 4.27 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 59 P 0.00 4.24 0.00 1.82 1.84 0.00 3.18 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.00 60 E 10.40 4.63 0.00 1.83 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 2.48 2.38 0.00 61 A 7.78 4.58 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 62 N 8.74 5.28 0.00 2.84 2.81 0.00 0.00 6.96 8.52 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 63 M 8.66 4.31 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 64 D 9.69 5.12 0.00 2.51 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 65 Q 8.10 5.17 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.61 0.00 66 E 9.29 4.75 0.00 1.89 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 2.25 2.42 0.00 67 S 8.24 5.20 0.00 3.63 3.78 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 68 F 9.43 5.25 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.41 3.59 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 0.00 0.00 0.00 70 G 8.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.93 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.53 4.03 0.00 4.12 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 73 C 8.25 4.24 0.00 2.94 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 74 C 7.77 4.43 0.00 2.98 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 75 L 8.27 3.55 0.00 1.35 0.89 0.34 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.04 4.00 0.00 2.88 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 77 C 7.96 4.28 0.00 3.03 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 78 R 7.65 3.65 0.00 1.76 1.79 0.00 3.19 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 79 C 7.96 4.15 0.00 2.81 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 80 H 7.44 4.02 0.00 3.21 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.78 4.60 1.79 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 1.38 0.67 0.84 0.00 0.00 82 D 8.29 4.58 0.00 2.61 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 83 H 8.29 4.27 0.00 2.87 2.87 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.70 0.00 2.04 1.88 0.00 2.90 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 85 N 8.04 4.01 0.00 2.72 2.71 0.00 0.00 6.95 7.45 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 *89 F 8.39 3.95 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 90 C 6.45 3.68 0.00 2.78 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 91 D 8.31 4.66 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.38 0.00 1.75 1.75 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.84 3.80 0.00 1.71 1.93 0.00 1.93 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 94 G 8.94 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 0.00 0.00 0.00 95 K 8.13 4.76 0.00 1.77 1.98 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 96 Y 9.02 5.13 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.66 4.88 2.29 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 1.51 0.00 0.00 1.08 0.00 0.00 98 Q 9.46 5.17 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.37 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 99 I 8.81 4.10 1.92 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.83 0.10 0.00 0.00 100 P 0.00 4.56 0.00 1.83 1.98 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.99 0.00 101 T 9.23 3.84 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 1.25 0.00 0.00 102 T 7.93 4.11 4.28 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 1.24 0.00 0.00 103 C 8.51 4.71 0.00 2.53 2.81 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 0.00 104 A 8.21 4.38 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.91 4.66 0.00 2.83 2.96 0.00 0.00 5.85 8.06 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 0.00 106 D 7.67 4.78 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.98 0.00 1.75 1.17 0.00 3.48 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 108 V 7.14 4.10 1.89 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 1.01 0.00 0.00 0.78 0.00 0.00 109 G 8.30 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 0.00 110 F 8.74 3.67 0.00 3.00 2.92 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 0.00 0.00 0.00 111 T 7.44 3.67 4.44 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 1.37 0.00 0.00 112 L 7.12 4.12 0.00 1.68 1.78 0.97 0.84 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 0.00 113 R 7.89 3.98 0.00 1.64 1.77 0.00 3.03 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 114 N 6.94 4.96 0.00 1.61 2.59 0.00 0.00 6.86 6.87 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 0.00 115 T 8.30 4.89 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 116 V 8.26 4.24 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 0.51 0.00 0.00 -0.03 0.00 0.00 117 C 9.16 4.25 0.00 3.04 2.88 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 0.00 118 T 8.80 3.86 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 119 V 7.54 3.80 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 0.90 0.00 0.00 0.93 0.00 0.00 120 C 7.83 4.28 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.67 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 0.00 0.00 0.00 122 M 7.45 4.48 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 123 W 8.52 4.92 0.00 3.71 3.39 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 0.00 124 K 9.16 4.17 0.00 2.07 1.90 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 125 G 10.02 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.63 4.85 0.00 3.13 3.01 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 0.00 127 G 8.78 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 0.00 128 C 8.17 4.04 0.00 3.10 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 0.00 129 S 8.75 4.10 0.00 4.06 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.