NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3571 8.1627 120.3410 55.1853 32.8885 174.3524 2 K 4.7070 8.2459 129.7592 55.2557 31.1495 168.2870 3 V 4.3631 8.7622 124.3111 61.2148 33.3458 174.5956 4 I 4.4587 9.0419 131.3212 62.7732 37.3770 176.6278 5 F 3.4971 8.6999 113.8454 57.9461 38.7999 174.2818 6 L 5.0291 7.9974 128.4194 54.6055 44.2563 172.5561 7 K 4.9767 7.0220 125.1188 58.8107 38.4676 176.5426 8 D 5.5731 7.7952 124.5203 53.5708 40.4622 177.9657 9 V 3.6040 8.1880 127.1601 62.2939 29.3655 169.8720 10 K 4.3181 7.6507 124.2785 56.6399 30.5481 175.0747 11 G 4.2675 7.7085 114.3201 45.5663 0.0000 174.9619 12 K 5.2643 8.3031 126.7347 55.3018 34.9090 173.3600 13 G 4.2736 7.6144 109.3867 45.8094 0.0000 173.6092 14 K 4.5905 7.9441 128.9207 57.3513 31.9296 179.1947 15 K 4.4477 7.7180 119.4959 55.2071 32.5574 176.5751 16 G 3.8895 8.7070 111.4121 46.3200 0.0000 172.2876 17 E 3.9935 5.9000 120.8291 54.3728 27.7407 174.0676 18 I 5.2063 6.9649 121.1687 59.7694 39.3392 174.6451 19 K 4.4495 8.5767 129.9603 54.1387 34.7801 176.0950 20 N 5.3960 8.7057 126.4397 52.5648 36.8410 174.4123 21 V 3.4976 7.5950 119.4982 64.2403 32.3432 176.5270 22 A 3.3555 8.1272 121.1528 54.7050 18.1816 177.0044 23 D 4.0695 8.5473 119.3770 54.4391 42.6115 175.7248 24 G 4.2346 8.6322 111.1470 49.8458 0.0000 175.9194 25 Y 4.5596 10.1647 108.1289 60.5012 38.0171 178.0569 26 A 3.1107 6.0472 134.5114 56.2920 18.5264 178.5249 27 N 4.0781 7.9438 115.5103 57.0581 38.9427 176.5074 28 N 4.3498 9.4007 118.7493 56.7684 39.3497 177.5619 29 F 4.4615 7.1344 114.4625 59.1335 38.1447 176.8743 30 L 4.1779 6.6046 117.6546 56.2725 42.1657 177.8687 31 F 5.1602 7.3251 115.0705 58.2732 40.4782 177.7825 32 K 3.9088 7.4894 116.6398 59.8120 32.1492 177.9652 33 Q 4.0050 8.1992 115.8445 57.7600 28.6647 176.9370 34 G 4.0245 9.5627 106.6684 46.2967 0.0000 173.7061 35 L 4.3695 7.9334 128.1066 53.8537 43.9070 172.2916 36 A 3.3908 8.0709 118.2667 51.3373 19.2553 175.7014 37 I 3.5518 6.8472 113.3641 61.0993 41.3035 173.4930 38 E 5.0528 9.5082 121.0710 55.9522 30.9727 179.0042 39 A 3.1714 9.0619 121.0237 53.4867 20.7855 178.1568 40 T 3.5121 8.1389 108.9112 64.1149 65.5371 172.1705 41 P 4.1112 0.0000 0.0000 66.0058 31.8239 178.7731 42 A 3.8374 7.7626 119.1503 55.5760 18.3298 178.3723 43 N 4.4598 9.0835 114.3621 55.9426 38.9864 178.5367 44 L 3.7977 7.4379 119.3312 56.8304 42.2683 179.1445 45 K 4.2771 8.2115 118.3439 57.8523 32.6906 178.3416 46 A 3.9771 10.6000 121.1776 55.0021 18.2891 179.6190 47 L 3.9219 7.8172 117.6466 59.1765 40.5548 178.9221 48 E 4.1771 8.1885 119.2872 58.1611 29.5473 178.4582 49 A 3.9537 8.3382 121.7166 54.9862 18.5627 178.7873 50 Q 3.8020 7.9941 116.3661 57.3380 29.1407 177.5941 51 K 4.1389 8.1823 118.9403 59.4861 32.5197 178.6571 52 Q 4.5368 7.9657 120.0225 57.6673 28.7463 178.4226 53 K 3.9405 8.7953 120.7655 59.7097 32.2648 179.0383 54 E 3.9911 8.1525 118.6599 59.7901 28.8484 179.5684 55 Q 4.1785 7.9744 117.3419 58.4429 28.7964 178.5302 56 R 3.8571 8.0195 119.3531 58.7723 30.1225 178.4327 57 Q 4.4233 7.6263 114.6079 57.4902 28.9986 177.3567 58 A 4.4342 7.7517 121.2208 54.1941 19.8006 178.7982 59 A 3.9768 7.3464 117.6175 55.8872 18.5307 178.4580 60 E 3.7703 8.4111 117.4328 58.6260 28.9956 178.1878 61 E 3.8765 8.2389 119.8706 59.1468 28.9890 179.4558 62 L 3.9695 8.0174 119.2045 57.2812 40.9538 178.4287 63 A 4.0171 10.4149 119.0913 53.4724 18.3940 178.4750 64 N 4.6134 7.9213 113.1084 53.9217 39.2231 176.0052 65 A 4.6341 7.1986 119.7007 51.5536 19.4621 177.0663 66 K 4.4747 7.4956 118.8952 56.9504 34.2789 178.7275 67 K 3.9861 7.5815 119.5407 59.2117 32.1653 178.9645 68 L 4.1426 7.8630 119.9147 57.6793 41.5601 178.3338 69 K 3.6286 8.4259 116.4891 61.0787 31.5997 177.9713 70 E 4.0747 7.9106 119.5471 59.8487 30.2253 179.1147 71 Q 4.0972 7.7907 118.9083 58.2692 28.1616 178.8962 72 L 4.3004 8.0590 119.8202 56.8771 41.8871 177.9363 73 E 4.4471 7.9865 115.5207 56.4880 29.4028 176.9392 74 K 4.2962 7.4601 118.3861 57.7696 33.7421 176.6935 75 L 4.3628 7.5612 118.4691 54.0551 43.3249 174.9858 76 T 4.3676 7.9962 110.3343 61.4150 71.1750 175.2690 77 V 4.3786 8.0594 118.4905 62.0371 32.6272 172.1604 78 T 4.9769 7.7617 113.6277 59.0790 70.2417 176.0563 79 I 4.5845 7.8488 126.0158 59.8329 39.6510 170.4694 80 P 5.3074 0.0000 0.0000 61.5071 30.9323 176.9166 81 A 4.5063 8.1365 135.0000 52.3730 21.8022 175.5483 82 K 4.6809 8.7487 113.7310 55.0654 34.9075 174.4801 83 A 3.5041 7.3057 118.6011 53.0209 22.3065 173.8729 84 G 3.9643 6.7078 99.6399 46.2068 0.0000 174.9871 85 E 4.6241 7.6408 117.7350 55.2836 31.2309 176.2624 86 G 4.0008 7.3091 107.8360 46.6097 0.0000 174.3253 *88 R 4.9125 7.4002 115.4781 54.6281 31.6127 175.1527 89 L 4.1141 7.9807 118.6528 54.6798 42.0368 177.3361 90 F 4.6380 8.5303 117.1414 58.5704 39.8795 176.9720 91 G 4.0356 7.4061 108.6724 45.9256 0.0000 173.6904 92 S 3.8370 7.2223 115.1171 56.9059 68.0055 175.0864 93 I 4.9194 7.9459 115.8704 61.3397 38.5500 173.8114 94 T 4.4741 8.3547 120.5117 60.0122 68.7264 175.3065 95 S 4.2105 8.5219 121.3609 60.1950 62.4874 175.9054 96 K 4.0295 7.6171 120.5625 60.0754 32.3497 177.9933 97 Q 5.3335 7.9619 116.6771 57.3727 30.3237 179.4072 98 I 3.8692 8.7625 116.6305 63.1642 36.9679 178.7552 99 A 2.9812 6.5091 125.5735 53.5865 19.3336 183.8963 100 E 3.2792 7.7632 115.1389 56.1933 33.8127 181.7870 101 S 4.5066 8.1716 111.2233 59.0821 63.1032 178.9010 102 L 3.5380 8.2872 130.4149 59.4194 43.9547 178.2000 103 Q 4.3929 8.4566 111.9655 55.5731 27.1784 180.4454 104 A 3.1829 5.8000 122.2475 53.5791 22.1073 182.2727 105 Q 4.2221 7.6737 111.5215 57.0696 28.5916 179.7761 106 H 3.9096 8.8893 123.5000 59.1806 29.5902 172.9081 107 G 3.7541 8.8798 111.2857 44.4241 0.0000 173.9208 108 L 4.2032 8.4358 120.5748 54.0457 43.4907 176.5257 109 K 4.0770 8.4896 125.4222 57.1858 33.0286 175.8475 110 L 4.5224 8.0494 122.2508 53.3424 45.1037 175.3405 111 D 4.6730 8.4048 123.0741 54.9022 41.0194 176.3976 112 K 4.5912 8.2520 113.6860 57.5966 35.2511 176.4797 113 R 4.3779 7.8686 118.3337 57.8756 31.8277 177.9444 114 K 4.4123 7.8416 119.3758 55.3115 31.1687 181.6350 115 I 2.9946 8.1825 125.8271 62.7825 34.1002 174.2619 116 E 4.2228 8.4964 130.0018 55.3003 27.8223 174.5940 117 L 4.5918 7.9320 121.8122 52.3606 43.6457 176.5260 118 A 4.2059 8.7847 127.5981 54.7073 18.9132 176.1780 119 D 4.3348 7.4232 112.8782 52.9745 41.0265 175.4058 120 A 4.5259 8.4712 120.9727 50.9416 18.2624 178.2044 121 I 4.1910 7.4068 121.6372 61.2715 37.1313 177.2809 122 R 5.0317 8.9253 132.0790 58.6669 28.2123 176.0597 123 A 3.8573 7.8057 118.5302 52.2136 18.3440 176.9061 124 L 3.2652 9.0663 119.3525 55.8428 43.5356 175.7096 125 G 3.6149 8.0853 106.1492 46.3507 0.0000 173.2145 126 Y 4.5477 8.7079 122.4719 58.6008 38.3720 176.6188 127 T 4.6223 8.8042 122.2213 62.2852 71.2501 173.5592 128 N 4.6267 8.6947 123.6727 53.1149 38.5167 175.2131 129 V 4.2543 8.2244 119.5788 60.5181 34.1996 173.4313 130 P 4.7001 0.0000 0.0000 62.9027 30.5535 173.9139 131 V 4.1702 8.6307 127.6125 62.1901 32.7662 175.2349 132 K 4.3852 8.7571 128.3381 56.4643 30.3873 176.5681 133 L 4.2092 7.6971 124.6967 54.5507 42.7274 176.0906 134 H 4.9637 8.9099 118.2197 54.1852 32.1480 175.2683 135 P 4.0770 0.0000 0.0000 64.8944 31.6543 176.5364 136 E 4.5322 8.0381 115.6342 56.3809 31.7315 176.5887 137 V 4.6226 7.8794 112.0146 59.6022 35.3671 173.6664 138 T 4.8224 7.7825 114.0765 61.0101 68.8351 176.9384 139 A 4.2636 9.1517 118.0693 51.5669 21.5297 174.7441 140 T 4.9498 7.9960 120.3542 63.3430 67.4916 173.8426 141 L 4.7488 7.8227 128.5770 53.9374 44.6613 174.9921 142 K 4.7426 8.3956 120.2468 55.8457 34.6256 176.7707 143 V 4.3546 8.2035 121.1880 61.8272 34.7829 173.6859 144 H 4.7211 9.2155 126.7435 53.7390 29.2380 173.5145 145 V 4.4614 8.4303 134.4921 63.0648 33.6572 173.6534 146 T 4.1181 8.2290 111.1620 60.6641 68.7992 172.3743 147 E 5.1485 9.1701 128.1063 62.2841 29.5285 178.4027 148 Q 3.1016 7.8735 115.6262 56.8229 30.1932 176.3434 149 K 4.0964 12.0000 124.5946 56.7279 33.7245 174.9980 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 4.36 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 K 8.25 4.71 0.00 1.99 1.72 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.70 1.57 7.81 3 V 8.76 4.36 2.36 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 1.00 0.00 0.00 1.01 0.00 0.00 4 I 9.04 4.46 2.20 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.21 0.00 0.00 5 F 8.70 3.50 0.00 3.31 3.46 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 6 L 8.00 5.03 0.00 1.44 1.98 0.95 0.46 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 7 K 7.02 4.98 0.00 1.82 1.53 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.32 7.81 8 D 7.80 5.57 0.00 2.72 1.83 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 9 V 8.19 3.60 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 0.77 0.00 0.00 0.99 0.00 0.00 10 K 7.65 4.32 0.00 2.01 2.13 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.19 7.81 11 G 7.71 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 12 K 8.30 5.26 0.00 1.73 1.76 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.42 1.34 7.81 13 G 7.61 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 14 K 7.94 4.59 0.00 1.85 1.94 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.63 7.81 15 K 7.72 4.45 0.00 1.80 1.73 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 16 G 8.71 3.89 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 0.00 0.00 0.00 17 E 5.90 3.99 0.00 1.88 1.77 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 2.09 2.17 0.00 18 I 6.96 5.21 2.10 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 1.26 1.37 0.85 0.00 0.00 19 K 8.58 4.45 0.00 1.76 1.63 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.39 7.81 20 N 8.71 5.40 0.00 2.71 2.76 0.00 0.00 7.20 7.68 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 21 V 7.60 3.50 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 0.64 0.00 0.00 0.88 0.00 0.00 22 A 8.13 3.36 1.06 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 0.00 0.00 23 D 8.55 4.07 0.00 2.50 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 24 G 8.63 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 25 Y 10.16 4.56 0.00 3.46 3.31 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 26 A 6.05 3.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.08 0.00 2.87 2.80 0.00 0.00 6.72 6.25 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 28 N 9.40 4.35 0.00 2.76 3.16 0.00 0.00 7.15 7.59 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 29 F 7.13 4.46 0.00 3.22 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 30 L 6.60 4.18 0.00 0.94 0.97 0.60 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.33 5.16 0.00 3.01 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 32 K 7.49 3.91 0.00 2.14 1.95 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.75 7.81 33 Q 8.20 4.00 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 34 G 9.56 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 35 L 7.93 4.37 0.00 1.94 1.74 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.07 3.39 1.15 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 37 I 6.85 3.55 1.54 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.02 0.82 0.00 0.00 38 E 9.51 5.05 0.00 1.84 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 2.34 2.27 0.00 39 A 9.06 3.17 1.33 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 0.00 0.00 40 T 8.14 3.51 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 1.17 0.00 0.00 41 P 0.00 4.11 0.00 2.17 2.08 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 42 A 7.76 3.84 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 43 N 9.08 4.46 0.00 2.67 2.70 0.00 0.00 7.14 5.12 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 44 L 7.44 3.80 0.00 1.74 1.73 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.21 4.28 0.00 2.24 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.53 7.81 46 A 10.60 3.98 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 47 L 7.82 3.92 0.00 2.04 1.97 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.19 4.18 0.00 2.12 1.99 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 2.38 2.44 0.00 49 A 8.34 3.95 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 50 Q 7.99 3.80 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 51 K 8.18 4.14 0.00 1.78 1.87 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.69 7.81 52 Q 7.97 4.54 0.00 2.25 2.14 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 2.24 2.81 0.00 53 K 8.80 3.94 0.00 1.80 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.63 7.81 54 E 8.15 3.99 0.00 2.19 2.03 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 2.57 2.53 0.00 55 Q 7.97 4.18 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.75 0.00 56 R 8.02 3.86 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 57 Q 7.63 4.42 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 58 A 7.75 4.43 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 59 A 7.35 3.98 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 60 E 8.41 3.77 0.00 2.16 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 0.00 2.30 2.35 0.00 61 E 8.24 3.88 0.00 2.29 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 0.00 2.44 2.51 0.00 62 L 8.02 3.97 0.00 2.06 1.70 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 A 10.41 4.02 1.33 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 0.00 0.00 64 N 7.92 4.61 0.00 2.66 2.85 0.00 0.00 6.79 7.35 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 65 A 7.20 4.63 1.15 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 66 K 7.50 4.47 0.00 1.96 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.53 7.81 67 K 7.58 3.99 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.52 7.81 68 L 7.86 4.14 0.00 1.68 1.73 0.92 1.16 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 69 K 8.43 3.63 0.00 2.06 1.83 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.68 7.81 70 E 7.91 4.07 0.00 2.19 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 2.31 2.39 0.00 71 Q 7.79 4.10 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 72 L 8.06 4.30 0.00 1.64 1.69 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.99 4.45 0.00 1.96 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 2.34 2.49 0.00 74 K 7.46 4.30 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.34 7.81 75 L 7.56 4.36 0.00 1.62 1.60 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.00 4.37 4.46 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 1.29 0.00 0.00 77 V 8.06 4.38 2.36 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 0.87 0.00 0.00 0.91 0.00 0.00 78 T 7.76 4.98 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 1.12 0.00 0.00 79 I 7.85 4.58 1.83 0.00 0.00 0.75 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 0.77 0.89 0.00 0.00 80 P 0.00 5.31 0.00 2.05 2.09 0.00 3.09 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 81 A 8.14 4.51 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 82 K 8.75 4.68 0.00 1.96 1.97 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.82 1.46 7.81 83 A 7.31 3.50 1.06 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 0.00 0.00 84 G 6.71 3.96 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 0.00 0.00 0.00 85 E 7.64 4.62 0.00 1.90 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 2.22 2.28 0.00 86 G 7.31 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 0.00 0.00 0.00 *88 R 7.40 4.91 0.00 1.82 1.83 0.00 3.39 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 89 L 7.98 4.11 0.00 1.58 1.61 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.53 4.64 0.00 3.05 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 91 G 7.41 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 92 S 7.22 3.84 0.00 4.27 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 93 I 7.95 4.92 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.92 0.00 0.00 94 T 8.35 4.47 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 1.24 0.00 0.00 95 S 8.52 4.21 0.00 3.88 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 96 K 7.62 4.03 0.00 1.79 1.79 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.41 7.81 97 Q 7.96 5.33 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 98 I 8.76 3.87 3.04 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 1.21 1.18 0.89 0.00 0.00 99 A 6.51 2.98 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 0.00 100 E 7.76 3.28 0.00 2.10 2.05 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 2.37 2.54 0.00 101 S 8.17 4.51 0.00 4.17 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 0.00 102 L 8.29 3.54 0.00 1.88 2.00 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.46 4.39 0.00 2.35 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 104 A 5.80 3.18 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 0.00 105 Q 7.67 4.22 0.00 1.90 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 106 H 8.89 3.91 0.00 3.18 3.35 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.20 0.00 1.62 1.60 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.49 4.08 0.00 1.90 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 110 L 8.05 4.52 0.00 1.57 1.51 0.92 1.20 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 0.00 111 D 8.40 4.67 0.00 2.68 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 0.00 112 K 8.25 4.59 0.00 1.85 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81 113 R 7.87 4.38 0.00 1.82 2.02 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 114 K 7.84 4.41 0.00 1.74 1.15 0.00 2.08 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.41 7.81 115 I 8.18 2.99 1.87 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 1.41 0.39 0.90 0.00 0.00 116 E 8.50 4.22 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 2.34 2.36 0.00 117 L 7.93 4.59 0.00 1.60 1.58 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.78 4.21 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 0.00 119 D 7.42 4.33 0.00 2.74 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 0.00 120 A 8.47 4.53 1.27 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 0.00 121 I 7.41 4.19 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 1.29 0.43 0.93 0.00 0.00 122 R 8.93 5.03 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.00 123 A 7.81 3.86 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 0.00 124 L 9.07 3.27 0.00 1.61 1.71 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.09 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 0.00 126 Y 8.71 4.55 0.00 2.87 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 0.00 127 T 8.80 4.62 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 0.00 128 N 8.69 4.63 0.00 2.91 2.88 0.00 0.00 5.97 7.68 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 0.00 129 V 8.22 4.25 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 0.94 0.00 0.00 130 P 0.00 4.70 0.00 2.58 2.22 0.00 3.90 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 2.11 1.81 0.00 131 V 8.63 4.17 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 1.00 0.00 0.00 1.00 0.00 0.00 132 K 8.76 4.39 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.47 7.81 133 L 7.70 4.21 0.00 1.59 1.59 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.91 4.96 0.00 3.14 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.08 0.00 1.94 1.98 0.00 3.05 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 1.64 2.03 0.00 136 E 8.04 4.53 0.00 1.91 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 2.20 2.32 0.00 137 V 7.88 4.62 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 0.89 0.00 0.00 1.03 0.00 0.00 138 T 7.78 4.82 4.53 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 1.26 0.00 0.00 139 A 9.15 4.26 1.22 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 0.00 0.00 0.00 140 T 8.00 4.95 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 0.00 141 L 7.82 4.75 0.00 1.69 1.54 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.40 4.74 0.00 1.92 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.48 7.81 143 V 8.20 4.35 2.24 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 1.02 0.00 0.00 0.89 0.00 0.00 144 H 9.22 4.72 0.00 2.18 1.91 0.00 5.31 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.43 4.46 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 0.94 0.00 0.00 0.87 0.00 0.00 146 T 8.23 4.12 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 1.22 0.00 0.00 147 E 9.17 5.15 0.00 2.06 1.94 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 2.47 2.20 0.00 148 Q 7.87 3.10 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.91 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 149 K 12.00 4.10 0.00 1.94 1.86 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.