NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6086 8.4201 119.2039 53.5926 39.1060 172.1661 0 A 4.1533 7.6377 127.9081 50.0335 22.0013 172.1465 2 E 4.8052 6.6686 116.5055 54.3131 35.4713 174.9172 3 V 4.4322 8.6418 129.0652 61.5419 31.0498 175.9158 4 T 4.2123 8.7920 118.0761 63.8930 69.7831 174.7079 5 D 4.7445 7.8054 119.9279 52.7717 45.0239 174.0931 6 V 4.7675 8.3759 123.9213 61.2914 34.0266 174.5032 7 R 4.6159 9.1314 127.5535 54.5066 32.7330 175.2102 8 L 4.8602 8.4578 124.9705 53.2539 43.0077 175.6051 9 R 4.2126 9.0192 126.3064 54.5602 32.3847 175.3457 10 R 3.7737 8.6074 118.0940 56.7498 28.5912 176.0183 11 V 3.8720 7.8568 114.7889 62.2695 32.3438 175.5065 12 N 4.1823 9.4348 122.6110 54.7705 35.7420 172.2119 13 T 4.3497 7.5607 112.0755 63.5378 70.0961 173.7464 14 D 4.5659 7.8482 119.5881 53.8042 42.0087 176.2851 15 G 3.7585 8.5708 112.9146 48.0919 0.0000 174.3017 16 R 4.3321 7.9120 119.4735 56.4080 29.6187 179.1381 *18 R 4.3526 8.1277 119.0614 55.8158 33.1426 176.3205 19 A 4.9869 7.7959 117.8184 50.3596 23.7163 174.4239 20 I 4.8988 8.5857 118.7403 59.1731 40.8993 174.2224 21 A 5.2373 9.4882 130.6296 50.1935 22.7100 174.8720 22 S 5.4009 9.3870 117.1661 55.8441 65.8285 173.4663 23 I 4.7857 8.3277 118.5799 59.9306 40.1936 174.4923 24 T 4.9857 8.7660 121.1316 61.9964 70.9438 173.2202 25 L 4.8905 9.4213 127.2433 53.8135 44.2300 176.6848 26 D 4.3989 10.0572 123.5738 55.7743 39.0583 175.3839 27 H 4.3297 7.9778 113.1138 56.5163 27.8466 175.8144 28 E 4.5539 8.2201 115.5243 55.5152 32.0535 175.1974 29 F 4.5924 8.5906 121.6576 56.3012 41.5204 174.2892 30 V 4.6501 7.8209 126.1303 61.1446 33.6215 174.9312 31 V 4.2376 8.6721 127.1030 61.6035 33.9241 174.9136 32 H 4.9966 8.7671 125.1758 54.2132 31.0581 174.1006 33 D 4.4044 8.5451 115.4677 55.5602 38.4535 174.0394 34 I 4.4332 7.4754 118.8203 60.7788 38.6908 175.6886 35 R 4.9659 8.7171 122.5780 54.2119 33.3366 174.6703 36 V 4.1197 8.1635 121.4989 62.2058 32.5369 174.8065 37 I 4.6674 7.6701 128.5150 59.3312 41.2282 174.4313 38 D 4.9324 8.7364 125.4721 53.3087 42.1577 175.1992 39 G 4.7408 8.6499 119.4379 45.1653 0.0000 171.4225 40 N 3.4627 7.4736 110.4035 55.3748 39.5537 173.7995 41 N 4.5422 7.9310 119.2945 53.9394 40.5570 176.0806 42 G 4.0521 8.2106 111.3394 44.5328 0.0000 173.2840 43 L 4.8856 8.3050 126.7323 54.9953 42.9367 176.3021 44 F 4.9539 8.5563 114.9714 56.0942 41.7826 172.7977 45 V 4.4840 8.8574 120.1363 61.6280 32.7733 175.0323 46 A 4.8980 8.6135 131.8005 50.0801 22.5262 173.1512 *48 P 4.4601 0.0000 0.0000 62.8730 33.3179 175.9430 49 S 5.1581 8.6672 119.2636 57.1348 64.4167 173.3915 50 K 4.5105 10.6271 126.2254 55.0814 34.0808 174.9138 51 R 4.7128 8.4385 127.6004 55.0627 31.2997 176.2792 52 T 4.3157 8.3761 117.3540 60.0789 70.4061 173.8977 53 P 4.2070 0.0000 0.0000 65.5841 31.3121 177.7200 54 D 4.4034 7.8985 114.3649 54.1121 39.2463 176.9938 55 G 3.8028 7.8035 109.3030 45.1330 0.0000 173.9942 56 E 4.1594 8.1178 119.4488 56.5600 30.8580 175.7499 57 F 5.2132 8.7411 120.5582 56.2586 40.4982 175.5432 58 R 4.8582 9.4794 122.5124 54.0767 34.4660 174.5087 59 D 4.9072 8.6637 121.2842 54.6105 40.9006 176.9149 60 I 3.8862 8.7773 124.6865 63.8065 37.9754 176.2589 61 T 4.3572 7.9542 118.5639 62.0411 68.7021 173.3733 62 H 4.7300 8.4954 126.3463 53.3122 31.6346 171.3026 63 P 4.3784 0.0000 0.0000 61.9436 31.5835 176.6145 64 I 3.8009 8.4763 117.8913 63.4966 37.4962 176.7887 65 N 4.8625 7.7710 117.9066 51.6557 41.3854 176.1783 66 S 4.2231 8.4364 118.3864 61.3376 63.3947 176.6660 67 S 4.1397 8.0798 117.4560 61.7985 62.5870 176.4712 68 T 3.8436 7.9210 118.7265 66.3347 68.1808 176.6352 69 R 4.0034 7.6950 119.2764 59.0904 30.1354 178.9765 70 G 3.7653 8.4311 105.9673 47.9651 0.0000 175.4022 71 K 3.8875 8.2706 121.6790 59.2700 32.1948 179.3866 72 I 3.6913 7.7923 119.6320 64.4343 36.9613 178.3347 73 Q 3.9608 8.5145 120.6874 59.2779 28.8503 178.0018 74 D 4.3449 8.7879 120.0042 57.3991 40.5902 178.5263 75 A 3.9868 8.3279 121.5868 55.0645 18.2956 179.9703 76 V 3.4900 7.7588 116.4645 66.2613 31.7131 178.4404 77 L 4.0710 8.2405 118.9391 57.7731 41.2736 179.3624 78 N 4.4316 8.4815 116.9099 56.1280 38.4712 177.0889 79 E 3.9570 7.8580 120.6234 59.3127 29.5936 178.2381 80 Y 4.0401 8.1696 119.7355 60.9805 38.9677 177.5630 81 H 4.2502 8.6824 117.5758 58.5078 28.7845 177.8577 82 R 3.8490 8.2635 120.9959 59.3393 30.0135 178.2487 83 L 4.0239 7.9309 118.9767 57.9517 41.6806 179.9467 84 G 3.4189 7.4690 105.2010 48.0177 0.0000 175.5413 85 D 4.4572 7.9296 120.9877 56.8006 40.7819 179.1642 86 T 3.8627 8.0498 116.7493 66.3491 68.2208 176.0124 87 E 3.8753 8.5869 121.5819 59.6962 29.6754 179.0755 88 A 3.9645 8.0775 120.3416 55.0219 18.2085 179.3011 89 L 3.9443 7.6209 117.8219 58.1138 42.3020 178.6052 90 E 4.0842 8.2359 118.7859 59.6648 29.2647 179.0355 91 F 4.2949 7.6231 118.7877 61.5709 39.5634 176.8478 92 E 3.6598 7.8304 116.2174 58.4037 29.2152 176.9111 93 E 4.1603 7.9537 122.8618 56.4343 30.6810 175.0877 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 N 8.42 4.61 0.00 2.68 2.83 0.00 0.00 6.76 7.08 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 A 7.64 4.15 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 2 E 6.67 4.81 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 2.02 2.08 0.00 3 V 8.64 4.43 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 0.78 0.00 0.00 0.93 0.00 0.00 4 T 8.79 4.21 4.08 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 0.00 0.00 0.96 0.00 0.00 5 D 7.81 4.74 0.00 2.78 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 0.00 0.00 0.00 0.00 6 V 8.38 4.77 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 0.90 0.00 0.00 0.97 0.00 0.00 7 R 9.13 4.62 0.00 1.88 1.80 0.00 3.12 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 8 L 8.46 4.86 0.00 1.61 1.57 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 R 9.02 4.21 0.00 1.94 1.79 0.00 3.29 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 10 R 8.61 3.77 0.00 1.92 1.94 0.00 3.34 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 11 V 7.86 3.87 2.20 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 0.83 0.00 0.00 0.95 0.00 0.00 12 N 9.43 4.18 0.00 2.84 2.93 0.00 0.00 6.76 7.42 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 13 T 7.56 4.35 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 14 D 7.85 4.57 0.00 2.65 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 15 G 8.57 3.76 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 0.00 0.00 0.00 16 R 7.91 4.33 0.00 1.77 1.91 0.00 3.43 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 *18 R 8.13 4.35 0.00 1.55 1.77 0.00 3.34 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 19 A 7.80 4.99 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 20 I 8.59 4.90 1.86 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 1.15 1.45 0.92 0.00 0.00 21 A 9.49 5.24 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 22 S 9.39 5.40 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.33 4.79 1.88 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 1.35 1.27 0.91 0.00 0.00 24 T 8.77 4.99 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 1.22 0.00 0.00 25 L 9.42 4.89 0.00 1.69 1.61 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 26 D 10.06 4.40 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.98 4.33 0.00 3.27 3.47 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.22 4.55 0.00 2.00 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 2.27 2.27 0.00 29 F 8.59 4.59 0.00 3.07 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 30 V 7.82 4.65 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 0.64 0.00 0.00 0.86 0.00 0.00 31 V 8.67 4.24 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 0.96 0.00 0.00 1.09 0.00 0.00 32 H 8.77 5.00 0.00 3.07 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.55 4.40 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.43 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.94 0.00 0.00 35 R 8.72 4.97 0.00 2.03 1.92 0.00 2.70 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 36 V 8.16 4.12 1.75 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 0.25 0.00 0.00 0.71 0.00 0.00 37 I 7.67 4.67 0.83 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 0.93 0.25 0.95 0.00 0.00 38 D 8.74 4.93 0.00 2.76 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 39 G 8.65 4.74 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 0.00 0.00 0.00 40 N 7.47 3.46 0.00 2.69 2.70 0.00 0.00 6.74 8.00 0.00 0.00 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 N 7.93 4.54 0.00 2.72 2.78 0.00 0.00 7.02 7.65 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 42 G 8.21 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 43 L 8.30 4.89 0.00 1.52 1.45 0.76 0.59 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 44 F 8.56 4.95 0.00 3.19 3.08 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 0.00 0.00 0.00 45 V 8.86 4.48 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 0.72 0.00 0.00 0.91 0.00 0.00 46 A 8.61 4.90 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 *48 P 0.00 4.46 0.00 2.15 2.05 0.00 3.62 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 2.34 0.00 49 S 8.67 5.16 0.00 3.82 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 50 K 10.63 4.51 0.00 1.88 1.87 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.38 7.81 51 R 8.44 4.71 0.00 1.73 1.65 0.00 2.86 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 52 T 8.38 4.32 4.19 0.00 0.00 0.00 0.00 0.00 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 53 P 0.00 4.21 0.00 2.03 2.12 0.00 3.64 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 2.00 2.04 0.00 54 D 7.90 4.40 0.00 2.75 2.75 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 55 G 7.80 3.80 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 0.00 0.00 0.00 56 E 8.12 4.16 0.00 1.98 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 2.51 0.00 57 F 8.74 5.21 0.00 2.91 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 58 R 9.48 4.86 0.00 1.64 1.77 0.00 3.28 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 59 D 8.66 4.91 0.00 2.64 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 60 I 8.78 3.89 1.92 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 1.33 0.64 0.95 0.00 0.00 61 T 7.95 4.36 4.30 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 1.26 0.00 0.00 62 H 8.50 4.73 0.00 3.04 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.38 0.00 2.00 1.94 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 64 I 8.48 3.80 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.91 0.00 0.00 65 N 7.77 4.86 0.00 2.73 2.75 0.00 0.00 6.88 7.57 0.00 0.00 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 S 8.44 4.22 0.00 4.05 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 0.00 67 S 8.08 4.14 0.00 4.07 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 68 T 7.92 3.84 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 1.19 0.00 0.00 69 R 7.69 4.00 0.00 2.10 1.98 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 70 G 8.43 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 71 K 8.27 3.89 0.00 1.98 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 72 I 7.79 3.69 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.92 0.00 0.00 73 Q 8.51 3.96 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 74 D 8.79 4.34 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.99 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 76 V 7.76 3.49 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 0.99 0.00 0.00 1.00 0.00 0.00 77 L 8.24 4.07 0.00 1.93 1.75 0.78 0.64 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 78 N 8.48 4.43 0.00 2.76 2.90 0.00 0.00 6.53 7.41 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 79 E 7.86 3.96 0.00 2.15 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 2.48 2.38 0.00 80 Y 8.17 4.04 0.00 3.02 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 81 H 8.68 4.25 0.00 3.41 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.26 3.85 0.00 2.02 2.04 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 83 L 7.93 4.02 0.00 1.64 1.61 0.99 0.72 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 84 G 7.47 3.42 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 0.00 0.00 0.00 85 D 7.93 4.46 0.00 2.90 2.71 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 86 T 8.05 3.86 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 1.26 0.00 0.00 87 E 8.59 3.88 0.00 2.15 2.14 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 2.29 2.41 0.00 88 A 8.08 3.96 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 89 L 7.62 3.94 0.00 1.80 1.96 1.00 1.53 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 90 E 8.24 4.08 0.00 2.40 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 2.35 2.40 0.00 91 F 7.62 4.29 0.00 3.03 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 92 E 7.83 3.66 0.00 2.07 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 2.23 2.29 0.00 93 E 7.95 4.16 0.00 1.85 1.72 0.00 0.00 0.00 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 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.