NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2775 8.1749 117.3753 62.8070 70.0756 173.4048 5 L 3.8637 8.3020 125.4864 52.6508 41.6760 175.7607 6 P 5.0321 0.0000 0.0000 64.1465 32.7569 177.7377 7 G 3.7104 8.0844 108.2018 48.9983 0.0000 175.2441 8 T 4.0545 7.8778 115.7420 65.2409 69.1121 174.6174 9 T 4.4703 7.9690 118.7293 60.1128 69.2219 170.9338 10 P 4.6379 0.0000 0.0000 62.0055 31.8245 175.2666 11 P 4.2211 0.0000 0.0000 63.7936 32.3990 175.7687 12 D 4.2570 8.5445 119.1214 55.4899 39.2350 172.4352 13 D 4.6149 7.4395 119.2491 53.3825 42.5076 176.1010 14 N 4.5921 8.2804 119.4233 53.8570 39.4841 174.6002 15 H 5.0803 8.3495 123.6575 55.2940 30.1898 173.5384 16 D 4.4727 8.4387 118.6168 54.3913 41.3815 176.4782 17 R 4.2756 8.3051 122.7414 54.6487 30.9143 174.6622 18 P 4.1653 0.0000 0.0000 62.1159 32.0512 175.2650 19 W 4.4530 8.1345 129.9454 56.1768 31.2414 176.1071 20 W 4.6847 7.8715 125.0241 57.2574 29.4907 176.3479 21 G 3.9236 6.0220 105.1726 44.6892 0.0000 173.0136 22 L 4.5117 8.3960 122.2868 54.1940 42.8077 176.1478 23 P 4.4682 0.0000 0.0000 63.4298 31.8318 175.3896 24 C 4.6510 8.3117 122.9757 58.2518 34.5266 173.4541 25 T 4.2251 8.1734 114.7022 61.2470 69.3688 174.6022 26 V 3.7469 7.0514 122.2479 62.4151 32.3710 174.7440 27 T 4.4413 7.9597 119.8670 59.4264 69.8218 171.7079 28 P 4.7983 0.0000 0.0000 62.8950 32.8717 174.8795 29 C 5.2605 8.7141 113.2271 57.4306 33.4560 172.3620 30 F 5.5977 10.2842 124.5123 56.7746 41.1910 174.5020 31 G 4.0235 8.3741 112.8469 44.3748 0.0000 171.4469 32 A 4.8825 7.8543 121.9019 50.4725 22.9187 175.4281 33 R 4.2651 8.4533 122.2225 54.4079 30.9372 175.5806 34 L 4.5019 8.6870 127.5326 54.3492 43.4352 176.3888 35 V 4.5260 8.6076 123.1058 62.1544 32.9888 174.2762 36 Q 4.9145 8.7725 130.1940 54.4400 30.6198 174.6506 37 E 4.5133 8.5946 126.1159 55.3061 33.1060 175.5931 38 G 3.8283 8.3969 114.6443 47.3516 0.0000 173.3370 39 N 4.8825 8.8641 121.2101 52.6529 38.9730 174.2164 40 R 4.8678 7.8024 117.4770 54.3023 32.7780 174.7919 41 L 5.1424 8.3532 120.0993 53.2288 44.7774 175.6987 42 H 4.9821 8.9728 120.2090 54.1411 31.5850 172.3084 43 Y 4.9302 8.8483 125.2520 56.7338 40.0139 174.4026 44 L 4.2645 8.0117 125.8201 52.3763 43.9048 177.2003 45 A 3.7007 8.0423 127.2597 55.0127 18.4391 177.7213 46 D 4.6053 7.7465 112.8970 55.4597 41.3989 176.9162 47 R 3.8140 7.6179 118.9731 54.9326 30.6161 175.1956 48 A 4.8332 7.4163 118.7402 51.1705 22.4200 175.6299 49 G 4.1743 7.7749 105.2743 46.1447 0.0000 172.5633 50 I 5.5704 8.6365 119.9494 59.5015 40.8681 175.1075 51 R 4.3979 9.5527 127.4753 55.9171 31.6162 176.6461 52 G 3.9804 9.0872 114.6524 45.0041 0.0000 171.8298 53 R 4.6355 8.1023 119.6599 54.4242 32.9776 175.7682 54 F 4.2626 9.0076 124.3887 56.8798 39.9504 176.0782 55 S 4.4687 8.5607 119.6631 57.9367 64.9996 175.0983 56 D 4.3907 8.6609 121.6741 57.7603 40.4478 179.4922 57 V 3.6086 7.7491 117.8678 66.2508 31.5787 177.6947 58 D 4.4490 8.2613 118.2726 57.1489 40.6672 178.6660 59 A 3.8075 8.6951 122.0436 55.1129 18.4806 179.0421 60 Y 4.1458 8.0576 118.1137 61.3577 38.9388 178.0890 61 H 4.0900 8.4685 117.2530 58.4541 28.6639 177.6120 62 L 3.8580 7.9755 122.7888 57.9993 41.5839 178.6900 63 D 4.1963 7.5934 117.9864 57.3817 40.8015 178.5518 64 Q 3.9814 7.5087 117.0607 58.8610 29.0057 178.2423 65 A 4.0638 8.4265 122.2041 54.6521 18.1612 179.1372 66 F 4.0833 8.0222 118.7528 61.4202 39.4369 175.5218 67 P 4.1293 0.0000 0.0000 65.2717 31.3746 178.3915 68 L 4.1330 7.6745 117.5203 57.4935 41.5361 180.2016 69 L 4.1829 7.9931 117.2099 55.0644 41.4282 179.3090 *71 K 4.3230 8.0400 120.4192 56.7075 34.0637 178.3914 72 Q 3.9663 8.1310 116.6913 58.9215 28.6021 178.5042 73 L 4.1178 7.9329 119.2616 57.8661 41.9687 179.0949 74 E 4.1409 8.0669 118.0121 59.0856 29.3748 179.7371 75 L 4.2665 7.7634 118.7105 54.7212 41.3031 179.3271 *77 L 4.5575 7.8278 119.5925 55.3759 43.6670 179.6237 78 T 4.0410 8.0266 113.9777 66.5492 68.3962 176.0365 79 G 3.6537 8.2647 109.3112 46.4892 0.0000 174.5447 80 G 4.0666 7.5567 106.1459 45.3864 0.0000 174.6053 81 E 3.9033 8.1403 119.6698 58.1383 29.6644 175.9373 82 L 4.4449 7.8503 121.2195 53.3103 42.6047 174.1158 83 N 5.1280 8.4521 125.5739 51.0298 40.2897 173.6377 84 P 4.3724 0.0000 0.0000 65.1481 31.5959 177.8167 85 R 4.4210 8.6296 115.6181 56.4623 30.4677 175.9015 86 H 4.9453 7.9068 114.6055 53.7720 32.6053 172.6694 87 Q 4.4304 8.6671 123.8407 55.6809 29.6758 174.8813 88 H 4.6560 8.6813 123.4774 55.5674 33.4011 171.9702 89 T 4.5761 8.4343 123.9045 62.5326 69.5831 174.5567 90 V 4.4368 8.7510 120.1010 59.9533 34.7085 174.9672 91 T 4.9200 8.3107 118.9058 61.7944 71.4481 173.3542 92 L 4.7936 8.7240 125.6233 52.9815 45.7870 174.9948 93 Y 5.2144 8.3868 117.5700 56.2945 41.2115 175.1557 94 A 4.5313 9.1450 125.8946 52.1823 22.7056 176.2081 95 K 3.6666 9.6999 121.5913 57.5182 29.9983 176.2027 96 G 3.9775 8.2830 103.3579 45.6952 0.0000 173.1071 97 L 5.2985 7.9032 119.1749 53.0109 45.6673 175.3342 98 T 4.7596 8.7753 118.0106 61.8445 71.1727 172.9881 99 C 5.1293 8.9252 126.8390 57.7052 34.1938 172.1243 100 E 5.1655 9.2674 126.5926 54.8214 31.5100 175.1707 101 A 5.3749 8.9170 124.8544 50.5768 23.2482 174.4019 102 D 5.2521 9.2461 119.3438 53.9362 44.8688 176.4621 103 T 4.6281 8.9255 114.5290 61.8123 69.4993 175.2342 104 L 3.7968 9.3983 121.1345 55.3664 39.6888 174.4846 105 G 4.0858 8.1986 103.9934 46.5771 0.0000 175.9920 106 S 4.2845 8.3689 115.5722 58.9905 63.6325 173.6516 107 C 4.0457 8.1346 118.3962 59.3211 25.8574 174.4123 108 G 4.8274 6.8558 120.5614 46.7051 0.0000 171.2945 109 Y 5.3767 7.5418 117.2131 56.2555 43.0806 174.6843 110 V 4.5946 8.4955 119.7585 61.6810 34.8729 173.7217 111 Y 4.8654 9.5541 126.9274 57.2038 39.4968 174.8780 112 L 5.5853 9.0386 122.9211 53.0776 46.2415 175.5639 113 A 5.2111 8.9396 122.6744 50.7487 22.8547 175.2722 114 V 5.0464 9.6089 123.3816 61.3643 34.7423 174.0833 115 Y 5.4557 8.4073 124.6118 54.7104 42.1200 172.4801 116 P 4.7482 0.0000 0.0000 62.9206 32.0756 176.6353 117 T 4.1963 8.6051 122.0030 63.0296 68.6984 173.1089 118 P 4.4488 0.0000 0.0000 62.2576 32.2741 176.2802 119 A 4.2105 8.4202 121.8632 52.6389 18.4741 177.6754 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 4 T 8.17 4.28 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 5 L 8.30 3.86 0.00 1.79 1.62 0.92 0.71 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 6 P 0.00 5.03 0.00 2.18 2.18 0.00 3.37 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 7 G 8.08 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 0.00 0.00 0.00 8 T 7.88 4.05 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 9 T 7.97 4.47 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 1.23 0.00 0.00 10 P 0.00 4.64 0.00 2.17 2.07 0.00 3.78 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 2.21 2.00 0.00 11 P 0.00 4.22 0.00 2.06 2.03 0.00 3.82 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 2.03 2.07 0.00 12 D 8.54 4.26 0.00 2.69 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 13 D 7.44 4.61 0.00 2.63 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.59 0.00 2.64 2.66 0.00 0.00 6.75 7.89 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 15 H 8.35 5.08 0.00 3.14 3.21 0.00 5.76 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.44 4.47 0.00 2.64 2.59 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 17 R 8.31 4.28 0.00 1.80 1.86 0.00 3.31 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 18 P 0.00 4.17 0.00 0.94 1.62 0.00 3.79 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 1.48 1.82 0.00 19 W 8.13 4.45 0.00 3.23 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 20 W 7.87 4.68 0.00 3.07 2.96 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 0.00 0.00 0.00 21 G 6.02 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 22 L 8.40 4.51 0.00 1.75 1.78 0.98 0.95 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 23 P 0.00 4.47 0.00 1.98 1.98 0.00 3.75 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 2.02 2.15 0.00 24 C 8.31 4.65 0.00 3.12 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.17 4.23 4.11 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 0.00 0.00 0.00 1.10 0.00 0.00 26 V 7.05 3.75 1.45 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 0.64 0.00 0.00 0.20 0.00 0.00 27 T 7.96 4.44 4.13 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 1.13 0.00 0.00 28 P 0.00 4.80 0.00 1.18 1.89 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.60 0.00 29 C 8.71 5.26 0.00 3.34 3.25 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 30 F 10.28 5.60 0.00 3.20 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 31 G 8.37 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 32 A 7.85 4.88 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 33 R 8.45 4.27 0.00 1.87 1.49 0.00 2.21 0.00 0.00 2.87 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 34 L 8.69 4.50 0.00 1.70 1.59 0.94 1.13 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 35 V 8.61 4.53 2.17 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 1.05 0.00 0.00 0.99 0.00 0.00 36 Q 8.77 4.91 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 37 E 8.59 4.51 0.00 2.14 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 2.19 2.21 0.00 38 G 8.40 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 0.00 0.00 0.00 39 N 8.86 4.88 0.00 2.69 2.79 0.00 0.00 6.59 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 40 R 7.80 4.87 0.00 1.94 1.75 0.00 3.08 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 41 L 8.35 5.14 0.00 1.43 1.49 0.88 1.01 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 42 H 8.97 4.98 0.00 3.03 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.85 4.93 0.00 3.16 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 44 L 8.01 4.26 0.00 1.41 1.27 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.04 3.70 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.75 4.61 0.00 2.53 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 47 R 7.62 3.81 0.00 1.64 1.42 0.00 2.31 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.31 0.00 48 A 7.42 4.83 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 49 G 7.77 4.17 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 0.00 50 I 8.64 5.57 2.12 0.00 0.00 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 1.77 1.07 1.39 0.00 0.00 51 R 9.55 4.40 0.00 1.80 1.75 0.00 2.84 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 52 G 9.09 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 53 R 8.10 4.64 0.00 1.75 1.77 0.00 3.28 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 54 F 9.01 4.26 0.00 3.08 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 55 S 8.56 4.47 0.00 4.09 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 0.00 56 D 8.66 4.39 0.00 2.72 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 57 V 7.75 3.61 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 1.10 0.00 0.00 0.95 0.00 0.00 58 D 8.26 4.45 0.00 3.04 3.13 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 59 A 8.70 3.81 1.41 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 60 Y 8.06 4.15 0.00 3.00 3.11 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 0.00 0.00 0.00 0.00 61 H 8.47 4.09 0.00 3.38 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.98 3.86 0.00 1.36 1.41 0.53 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.59 4.20 0.00 2.82 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 64 Q 7.51 3.98 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 65 A 8.43 4.06 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 66 F 8.02 4.08 0.00 2.82 2.96 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 0.00 0.00 0.00 67 P 0.00 4.13 0.00 1.99 2.03 0.00 3.83 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 2.00 2.18 0.00 68 L 7.67 4.13 0.00 1.77 1.65 0.87 0.62 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 69 L 7.99 4.18 0.00 1.67 1.61 0.97 0.81 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 *71 K 8.04 4.32 0.00 1.92 1.84 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.57 7.81 72 Q 8.13 3.97 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 73 L 7.93 4.12 0.00 1.54 1.70 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.07 4.14 0.00 2.12 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 0.00 2.34 2.33 0.00 75 L 7.76 4.27 0.00 1.88 1.66 0.90 0.61 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 *77 L 7.83 4.56 0.00 1.92 1.74 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.03 4.04 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 1.20 0.00 0.00 79 G 8.26 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 0.00 0.00 0.00 80 G 7.56 4.07 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 0.00 0.00 0.00 81 E 8.14 3.90 0.00 1.94 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 2.32 2.41 0.00 82 L 7.85 4.44 0.00 1.77 1.55 0.96 0.53 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 N 8.45 5.13 0.00 2.79 2.74 0.00 0.00 7.14 7.71 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 84 P 0.00 4.37 0.00 2.21 2.22 0.00 3.64 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 2.11 2.12 0.00 85 R 8.63 4.42 0.00 1.69 1.80 0.00 3.08 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 86 H 7.91 4.95 0.00 3.15 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.67 4.43 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 88 H 8.68 4.66 0.00 3.16 3.14 0.00 5.82 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 89 T 8.43 4.58 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 1.27 0.00 0.00 90 V 8.75 4.44 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 0.71 0.00 0.00 0.95 0.00 0.00 91 T 8.31 4.92 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 0.66 0.00 0.00 92 L 8.72 4.79 0.00 1.40 1.44 0.88 0.49 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 93 Y 8.39 5.21 0.00 2.78 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 94 A 9.15 4.53 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 95 K 9.70 3.67 0.00 1.78 1.62 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.22 7.81 96 G 8.28 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 97 L 7.90 5.30 0.00 1.68 1.57 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.78 4.76 3.26 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 0.87 0.00 0.00 99 C 8.93 5.13 0.00 2.87 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 0.00 100 E 9.27 5.17 0.00 2.05 1.90 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 2.27 2.37 0.00 101 A 8.92 5.37 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 0.00 102 D 9.25 5.25 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.93 4.63 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 1.28 0.00 0.00 104 L 9.40 3.80 0.00 1.77 1.70 0.13 0.89 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 0.00 105 G 8.20 4.09 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 0.00 106 S 8.37 4.28 0.00 4.35 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 0.00 107 C 8.13 4.05 0.00 3.10 2.98 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 0.00 108 G 6.86 4.83 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 0.00 0.00 0.00 109 Y 7.54 5.38 0.00 2.85 2.26 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 0.00 110 V 8.50 4.59 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 1.12 0.00 0.00 0.96 0.00 0.00 111 Y 9.55 4.87 0.00 3.10 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 0.00 112 L 9.04 5.59 0.00 1.78 1.56 0.98 0.97 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 0.00 113 A 8.94 5.21 1.49 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 0.00 0.00 0.00 114 V 9.61 5.05 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.18 0.00 0.00 115 Y 8.41 5.46 0.00 3.13 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 0.00 116 P 0.00 4.75 0.00 2.07 2.16 0.00 3.83 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 2.05 2.33 0.00 117 T 8.61 4.20 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 1.31 0.00 0.00 118 P 0.00 4.45 0.00 2.12 2.04 0.00 3.86 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 119 A 8.42 4.21 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 * Residues marked with a * may have inaccurate shift predictions.