NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.6406 8.0549 120.3205 62.4773 32.3753 174.3203 3 Q 4.5384 8.0531 125.7802 53.4971 32.2740 172.9046 4 L 5.0718 8.5835 122.3741 52.9062 45.8713 174.7941 5 Q 4.4720 8.6214 123.7256 54.3113 31.7749 174.2759 6 E 5.1579 9.0247 126.3325 56.5780 30.9295 175.8186 7 S 4.5833 9.4493 116.4493 57.8635 66.9551 174.9319 8 G 4.2936 8.6127 107.4315 46.2243 0.0000 173.8553 9 G 3.8375 7.4998 108.3155 44.8092 0.0000 173.2532 10 G 3.6839 6.7468 105.2850 45.0993 0.0000 170.9839 11 L 5.2554 8.0606 124.8190 53.2859 44.3723 177.4560 12 V 4.5861 8.7441 124.7580 60.0362 35.3502 174.1111 13 Q 4.5333 8.7081 123.5629 55.4218 30.4795 175.0130 14 A 4.2778 8.5530 128.2195 54.4248 18.7086 178.3188 15 G 3.9429 9.2858 112.0869 44.9483 0.0000 173.8588 16 G 4.0184 7.8001 107.0766 45.7766 0.0000 172.5374 17 S 5.3444 8.3961 113.7906 57.0029 67.6928 173.2954 18 L 4.8927 8.6440 119.8501 53.2686 46.9372 175.7316 19 R 4.8221 8.2236 119.9322 54.6428 32.8654 174.0811 20 L 4.7715 8.4223 127.3366 54.2529 43.3056 176.3413 21 S 5.4060 9.2115 118.1141 57.0151 67.1468 172.5603 22 C 5.3378 9.4181 122.6799 55.0916 41.1690 172.2781 23 A 4.9830 8.7762 128.8831 50.4816 20.5374 175.2240 24 A 4.9398 8.4635 125.0163 50.3921 20.8242 177.4884 25 S 4.2322 8.5415 117.0469 56.2748 62.3591 173.3612 *30 S 4.2756 8.3807 121.8757 58.4578 64.0847 174.2101 31 T 4.4739 6.9773 111.7561 61.5925 67.4400 172.7598 32 Y 4.6319 7.1117 117.1935 57.3665 38.7322 175.4393 33 D 4.8964 9.2882 123.8105 54.8384 42.4721 175.2751 34 M 5.5612 8.9909 120.3940 53.9998 36.3199 174.8127 35 G 4.6809 9.3970 108.1732 45.0956 0.0000 171.3188 36 W 5.5906 9.1401 120.2957 55.0549 31.8979 175.5091 37 F 5.5975 9.8565 121.1598 56.1236 43.5368 173.7489 38 R 5.0114 9.1807 115.8410 55.1219 33.4018 174.0303 39 Q 4.7083 8.9143 121.4393 55.0798 32.6743 173.4428 40 A 4.9649 8.5656 127.9868 49.5317 21.7692 174.4185 41 P 4.3655 0.0000 0.0000 64.2010 31.7401 177.6017 42 G 3.9680 8.9266 110.6654 45.3473 0.0000 173.2691 43 K 4.5872 7.4801 118.2571 54.3485 34.2707 176.1250 44 E 4.1753 8.3344 120.2347 55.9423 30.1722 176.9928 45 R 4.4179 8.3258 122.5178 56.5062 30.8943 175.3969 46 E 5.0294 9.3092 123.5164 54.2723 33.1539 175.3783 47 S 4.2971 9.0372 117.5020 59.3766 63.4134 173.2075 48 V 4.4035 8.6062 122.4464 63.8880 33.5032 174.9917 49 A 5.0177 7.8022 118.8396 51.5435 22.6032 174.1315 50 A 5.1356 8.7717 119.6786 51.0572 23.4205 175.4576 51 I 4.9638 8.7315 119.7497 59.4276 41.1994 174.6843 52 N 4.8506 9.1572 126.5121 52.5378 38.8077 175.3522 52A W 3.9549 9.4853 135.0000 60.3618 31.1785 177.6804 53 G 3.7679 8.3563 106.4773 47.9729 0.0000 174.3353 54 S 4.3217 7.9968 111.7068 57.2019 63.9938 174.5325 55 A 3.6387 8.1764 122.5147 52.4933 16.8178 177.7300 56 G 3.9886 7.8668 105.2586 47.0321 0.0000 173.4258 57 T 5.3422 8.4633 111.4162 59.8368 72.1113 172.5698 58 Y 4.9421 8.6916 122.5202 56.2587 42.5182 173.5302 59 Y 4.8611 7.5229 121.7275 55.7701 42.1329 175.0321 60 A 4.0646 8.6835 125.3689 51.7817 19.3769 178.7886 61 S 4.0399 8.9924 117.1054 61.7994 63.0625 176.9320 62 S 4.1912 7.9748 112.4302 60.0496 63.0506 174.7136 63 V 3.8891 7.6474 112.4558 60.0877 33.3988 175.3488 64 R 3.8286 7.3451 121.4614 57.6454 30.1923 177.6068 65 G 4.0483 8.6371 111.8716 45.7352 0.0000 173.8525 66 R 4.5934 7.6196 116.2106 56.5775 33.3035 175.7525 67 F 5.6667 8.3952 115.7092 56.1394 41.7337 175.7800 68 T 4.9955 8.9404 117.7304 61.9991 71.9315 172.7984 69 I 5.0367 8.8765 127.3819 60.1609 39.5875 174.6341 70 S 4.9393 8.9461 122.2841 57.6810 66.9967 172.2864 71 R 5.2278 8.4117 114.8861 55.1874 32.7038 174.3300 72 D 4.7809 9.0171 119.3224 52.2399 42.8978 175.7434 73 N 4.5588 8.9925 124.9708 56.8445 38.8618 176.1667 74 A 4.1186 8.2022 120.3670 54.6394 18.5874 178.5842 75 K 4.3342 8.0516 113.5401 55.2086 33.0284 176.6215 76 K 4.0266 8.0908 117.9920 57.9248 30.5702 174.5058 77 T 5.2818 8.0319 113.0911 61.6742 72.4083 173.7157 78 V 5.0324 8.5400 124.5972 60.2167 34.7107 174.1584 79 Y 5.4396 9.0984 119.7927 56.2863 41.9765 174.6342 80 L 4.6784 8.8937 124.4009 53.2147 44.9317 175.0193 81 Q 4.4185 9.1296 129.8101 55.8024 30.3881 174.4094 82 M 4.1005 8.9472 127.3591 53.7160 33.8469 175.0117 82A N 5.3166 8.5993 120.5491 50.0984 41.6224 174.8285 82B S 3.7251 8.4888 113.0838 59.6374 60.7847 173.3541 82C L 4.5054 7.8192 119.0834 54.8461 42.5080 177.1886 83 K 4.9487 9.0401 120.5267 53.7073 35.9227 175.5538 84 P 4.7381 0.0000 0.0000 65.1687 31.2649 178.2214 85 E 4.2817 8.0707 112.8097 57.7498 29.8677 177.1674 86 D 4.7003 8.2139 119.5612 56.4194 41.2290 176.7763 87 T 4.3890 7.9498 116.7550 63.6421 68.8700 173.6587 88 A 4.3952 8.3491 128.2014 51.7578 23.7102 175.1128 89 V 4.4036 7.9351 119.8845 62.7945 32.9850 174.3533 90 Y 5.1167 9.2620 126.1195 56.8193 40.0024 174.8396 91 T 5.3546 9.4006 121.0377 61.9694 72.4591 172.3807 92 C 4.5922 9.7098 126.3609 55.6492 44.6287 172.5540 93 G 4.0420 9.2139 111.6535 44.2453 0.0000 171.1471 94 A 5.3284 8.5813 122.0083 49.7006 22.9484 176.5750 95 G 3.9366 7.9646 105.6167 46.1901 0.0000 173.1032 96 R 4.9639 8.6932 122.9527 54.0543 32.1824 175.2585 97 I 3.2659 8.5051 125.5671 61.1901 37.5820 176.6562 98I E 4.2450 8.9967 120.9891 57.0013 29.2578 178.7303 98J S 4.1979 8.0893 115.5205 60.8352 62.9174 175.4599 99 W 4.2661 8.0323 118.1160 58.4720 28.3556 176.2973 100 V 3.0708 6.4437 119.5529 62.8184 31.1872 175.2168 101 T 3.8511 7.9615 123.3853 63.7054 70.2464 175.1481 102 W 4.8077 7.2111 119.9811 54.3978 32.6472 174.7137 103 W 5.1246 8.8451 123.3887 54.7476 31.5256 175.9412 104 G 4.1537 8.8404 111.6434 45.4492 0.0000 173.5424 105 Q 4.1759 8.8955 116.7617 56.8023 29.1791 177.4437 106 G 4.2256 9.6684 103.1395 45.9964 0.0000 172.5537 107 T 4.7291 8.7204 113.0041 60.1755 71.1462 172.8065 108 Q 4.5801 8.9919 130.2167 56.3164 30.7444 174.5939 109 V 4.6602 9.1253 126.2562 61.5104 34.2733 174.0388 110 T 4.9098 8.9205 125.0490 61.6826 71.4601 173.3522 111 V 4.8624 8.7575 126.8041 61.1901 33.7957 174.6116 112 S 4.8231 8.7184 123.4480 56.9182 65.3418 174.8807 113 S 4.2976 8.5145 116.3221 59.1010 62.5887 174.3210 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 2 V 8.05 3.64 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 0.19 0.00 0.00 -0.42 0.00 0.00 3 Q 8.05 4.54 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 4 L 8.58 5.07 0.00 1.53 1.45 0.90 0.62 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 5 Q 8.62 4.47 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 6 E 9.02 5.16 0.00 2.03 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 0.00 2.73 2.62 0.00 7 S 9.45 4.58 0.00 3.89 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 8 G 8.61 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 0.00 0.00 0.00 0.00 9 G 7.50 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 0.00 0.00 0.00 10 G 6.75 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 11 L 8.06 5.26 0.00 1.64 1.53 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.74 4.59 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 0.66 0.00 0.00 0.95 0.00 0.00 13 Q 8.71 4.53 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 14 A 8.55 4.28 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 15 G 9.29 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 16 G 7.80 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.40 5.34 0.00 3.68 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 18 L 8.64 4.89 0.00 1.26 1.28 0.76 0.87 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 19 R 8.22 4.82 0.00 1.76 1.71 0.00 3.03 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 20 L 8.42 4.77 0.00 0.66 0.94 0.11 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.21 5.41 0.00 3.87 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 22 C 9.42 5.34 0.00 2.65 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 23 A 8.78 4.98 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 24 A 8.46 4.94 1.02 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 0.00 0.00 0.00 0.00 0.00 25 S 8.54 4.23 0.00 3.74 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 *30 S 8.38 4.28 0.00 3.79 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 31 T 6.98 4.47 4.12 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 0.00 0.00 0.92 0.00 0.00 32 Y 7.11 4.63 0.00 2.85 3.10 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 0.00 0.00 0.00 0.00 33 D 9.29 4.90 0.00 2.60 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 34 M 8.99 5.56 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 35 G 9.40 4.68 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 36 W 9.14 5.59 0.00 3.39 3.29 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 37 F 9.86 5.60 0.00 3.25 3.16 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 38 R 9.18 5.01 0.00 0.94 1.05 0.00 2.54 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 39 Q 8.91 4.71 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 40 A 8.57 4.96 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 41 P 0.00 4.37 0.00 2.05 2.02 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 42 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 43 K 7.48 4.59 0.00 1.93 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 44 E 8.33 4.18 0.00 1.96 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 2.30 2.24 0.00 45 R 8.33 4.42 0.00 1.70 1.86 0.00 3.05 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 46 E 9.31 5.03 0.00 2.10 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 2.31 2.31 0.00 47 S 9.04 4.30 0.00 4.03 4.02 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 0.00 0.00 0.00 48 V 8.61 4.40 2.46 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 1.39 0.00 0.00 1.09 0.00 0.00 49 A 7.80 5.02 0.95 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 0.00 0.00 50 A 8.77 5.14 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 51 I 8.73 4.96 2.01 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 1.13 0.83 0.82 0.00 0.00 52 N 9.16 4.85 0.00 2.75 2.71 0.00 0.00 6.50 8.33 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 52A W 9.49 3.95 0.00 3.56 3.12 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 0.00 0.00 0.00 53 G 8.36 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 0.00 0.00 0.00 54 S 8.00 4.32 0.00 3.97 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 55 A 8.18 3.64 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 56 G 7.87 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 57 T 8.46 5.34 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 1.31 0.00 0.00 58 Y 8.69 4.94 0.00 3.08 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 59 Y 7.52 4.86 0.00 2.57 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 60 A 8.68 4.06 1.37 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 61 S 8.99 4.04 0.00 3.89 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 62 S 7.97 4.19 0.00 3.93 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 63 V 7.65 3.89 0.96 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 0.34 0.00 0.00 1.07 0.00 0.00 64 R 7.35 3.83 0.00 1.82 1.70 0.00 3.22 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 65 G 8.64 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 66 R 7.62 4.59 0.00 1.65 2.25 0.00 3.06 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 67 F 8.40 5.67 0.00 2.94 2.93 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 68 T 8.94 5.00 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 1.34 0.00 0.00 69 I 8.88 5.04 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.31 0.75 0.00 0.00 70 S 8.95 4.94 0.00 4.01 4.02 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 0.00 0.00 0.00 71 R 8.41 5.23 0.00 1.69 1.81 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.41 0.00 72 D 9.02 4.78 0.00 3.09 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 73 N 8.99 4.56 0.00 2.82 2.85 0.00 0.00 6.99 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 74 A 8.20 4.12 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 75 K 8.05 4.33 0.00 1.97 1.94 0.00 2.14 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.79 7.81 76 K 8.09 4.03 0.00 1.93 1.76 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.42 7.81 77 T 8.03 5.28 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 0.78 0.00 0.00 78 V 8.54 5.03 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 0.77 0.00 0.00 1.25 0.00 0.00 79 Y 9.10 5.44 0.00 3.09 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 80 L 8.89 4.68 0.00 0.61 0.55 0.99 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.13 4.42 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 82 M 8.95 4.10 0.00 0.82 1.42 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.17 0.00 82A N 8.60 5.32 0.00 2.80 2.75 0.00 0.00 7.11 6.85 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 82B S 8.49 3.73 0.00 4.02 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 82C L 7.82 4.51 0.00 1.82 1.62 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.04 4.95 0.00 1.81 1.81 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.52 7.81 84 P 0.00 4.74 0.00 2.20 2.15 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 85 E 8.07 4.28 0.00 2.11 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 0.00 2.32 2.30 0.00 86 D 8.21 4.70 0.00 3.01 3.05 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 87 T 7.95 4.39 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 1.37 0.00 0.00 88 A 8.35 4.40 1.16 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 89 V 7.94 4.40 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 1.08 0.00 0.00 0.97 0.00 0.00 90 Y 9.26 5.12 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 91 T 9.40 5.35 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 92 C 9.71 4.59 0.00 1.81 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 93 G 9.21 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 94 A 8.58 5.33 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 95 G 7.96 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 96 R 8.69 4.96 0.00 1.86 1.92 0.00 3.29 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 97 I 8.51 3.27 1.48 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.54 0.00 0.00 98I E 9.00 4.25 0.00 1.94 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 0.00 2.38 2.32 0.00 98J S 8.09 4.20 0.00 4.01 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 99 W 8.03 4.27 0.00 3.68 3.33 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 0.00 100 V 6.44 3.07 0.98 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 -1.18 0.00 0.00 -0.99 0.00 0.00 101 T 7.96 3.85 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 -0.19 0.00 0.00 102 W 7.21 4.81 0.00 3.12 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 0.00 103 W 8.85 5.12 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 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 0.00 0.00 0.00 0.00 105 Q 8.90 4.18 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 106 G 9.67 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 0.00 0.00 0.00 107 T 8.72 4.73 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 1.42 0.00 0.00 108 Q 8.99 4.58 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 109 V 9.13 4.66 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 0.83 0.00 0.00 0.63 0.00 0.00 110 T 8.92 4.91 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 1.24 0.00 0.00 111 V 8.76 4.86 2.23 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 1.04 0.00 0.00 0.98 0.00 0.00 112 S 8.72 4.82 0.00 3.96 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 0.00 113 S 8.51 4.30 0.00 3.89 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.