NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1345 8.1701 110.9415 62.1242 70.0092 171.7541 4 A 3.3137 8.2230 125.5518 53.2298 16.7050 176.6161 5 Y 4.4741 9.2269 113.8375 57.2795 39.5395 174.7800 6 D 4.6690 7.5645 120.8322 55.7334 42.0700 178.3092 7 V 3.8024 7.9096 119.3077 65.9369 32.4246 175.8440 8 I 4.3303 7.6750 119.9189 61.0175 37.4528 174.7281 9 L 4.6484 8.8482 126.2514 56.2699 43.2262 176.1114 10 A 4.9121 7.8685 118.3388 50.5402 22.3891 172.2121 11 P 5.1630 0.0000 0.0000 62.7499 34.5335 177.3500 12 V 2.2996 8.1584 106.9091 61.6855 32.8320 177.1739 13 L 3.2107 9.0326 123.5749 54.7894 38.1046 173.1251 14 S 4.5795 5.8889 115.2867 57.4470 64.7215 177.0388 15 E 4.1859 8.2404 124.7770 59.8921 28.5148 179.4795 16 K 3.6786 8.1591 118.4398 59.5525 32.4776 178.4462 17 A 3.5754 7.6402 119.8618 55.2326 18.8813 177.8641 18 Y 2.3900 8.5001 114.5929 58.3264 37.2132 181.2585 19 A 3.4429 5.8618 125.3349 55.1753 21.1786 180.3395 20 G 3.7839 7.1538 101.7833 47.1981 0.0000 175.5190 21 F 4.4382 9.1006 119.8880 60.5679 39.2516 176.3328 22 A 4.1032 7.9891 122.8700 55.2821 18.2734 177.8383 23 E 4.3172 7.7659 114.7391 55.2303 30.7380 177.5072 24 G 3.5789 8.3047 104.4841 47.6037 0.0000 173.4410 25 K 4.7835 7.6988 120.8087 56.2947 31.8785 175.8632 26 Y 5.0932 9.0608 123.9757 56.2928 40.9174 175.1653 27 T 4.8187 8.3135 116.9762 60.6189 71.6080 172.4889 28 F 5.0376 9.4270 124.3863 56.3310 44.2683 172.8700 29 W 5.3337 8.5221 117.8641 55.9621 31.2518 176.2930 30 V 4.9369 8.4942 115.2600 59.5206 36.3748 174.1862 31 H 4.2463 9.2123 121.6597 57.2235 29.9005 174.6309 32 P 4.2036 0.0000 0.0000 65.9357 31.7712 178.6401 33 K 4.2365 7.4583 118.0371 55.5791 31.8151 176.6440 34 A 4.9307 7.2744 122.7505 51.8929 20.9748 177.2933 35 T 4.5884 7.9925 109.1145 62.6147 72.6872 174.6238 36 K 3.8971 8.9018 125.4832 60.3175 32.1191 179.1652 37 T 4.1702 7.8840 110.8522 64.7998 68.2530 174.8676 38 E 4.3880 7.8458 122.1120 58.0590 30.7642 177.4500 39 I 3.6606 9.0201 119.8025 65.0510 37.1682 177.3779 40 K 3.6133 9.0014 118.6020 60.0652 31.1785 177.4739 41 N 4.1079 8.3332 117.3044 56.4266 38.8550 176.7360 42 A 3.9832 7.5441 121.5460 54.7760 18.9162 179.4501 43 V 3.5101 8.2673 116.5210 67.0217 31.6530 177.2586 44 E 3.9996 8.7189 118.2327 59.7291 28.9322 179.0121 45 T 3.8729 7.8435 111.5802 65.9824 69.0513 175.4025 46 A 3.9367 8.9773 124.0283 54.1100 17.9006 177.5664 47 F 4.5764 8.8794 114.8594 56.5031 41.0112 177.5075 48 K 4.0050 7.6768 112.3321 57.6767 29.1011 174.3708 49 V 4.4578 7.9288 117.3578 60.5024 36.1782 172.2563 50 K 5.3431 8.6312 121.6296 54.7130 35.4516 176.3220 51 V 4.8263 8.7359 126.9143 61.1902 33.4224 175.1027 52 V 4.3480 8.8205 126.6617 62.0783 32.6681 174.9872 53 K 4.1746 7.5005 116.2760 56.2965 35.3762 173.3792 54 V 4.7916 8.6918 127.9046 61.1819 33.6531 174.2223 55 N 5.0924 9.2366 125.2212 51.7114 41.5169 173.5187 56 T 5.2120 8.2715 117.2511 60.4281 71.4054 172.5763 57 L 4.4953 8.0079 122.0338 55.1062 43.9626 173.7710 58 H 4.7725 8.9582 119.5137 55.5217 30.2870 175.0941 59 V 4.2495 9.6412 123.7106 60.8330 33.0950 174.4926 60 R 4.0469 8.7976 129.3959 56.4382 30.4120 176.3030 61 G 3.8846 8.6381 114.9506 45.6066 0.0000 172.5426 62 K 4.2748 8.9035 124.7005 56.8196 33.4856 175.6041 63 K 4.8148 8.5572 122.6331 55.5605 34.4514 175.5048 64 K 4.8156 8.0934 122.6953 55.7998 36.3182 174.9310 65 R 4.6973 8.2792 117.9947 56.0791 32.6923 175.1350 66 L 4.5714 8.4586 124.6013 54.2772 44.6482 176.9009 67 G 3.8902 8.3386 119.0257 46.5630 0.0000 174.8080 68 R 4.1848 7.8249 121.1730 55.8370 30.3620 175.6313 69 Y 4.5049 7.0867 118.0484 57.7764 37.2173 174.3971 70 L 4.8320 8.5808 125.9799 53.0192 42.7018 176.0971 71 G 4.3389 8.4578 111.0968 44.7374 0.0000 170.6781 72 K 4.8576 8.4859 117.0601 54.6226 35.9655 176.6570 73 R 4.5570 8.8262 121.9951 54.3281 31.6321 174.8664 74 P 4.3609 0.0000 0.0000 63.4478 32.4159 174.8344 75 D 4.8752 8.5642 122.0759 53.8374 41.7990 175.7571 76 R 4.8313 8.6993 120.3992 54.3538 35.0585 173.9878 77 K 4.9126 8.5054 120.6784 54.9834 36.1255 174.7353 78 K 5.2652 8.8286 119.8523 56.8851 36.0174 174.5134 79 A 5.0255 8.7929 125.8306 50.0686 22.8174 174.3272 80 I 4.9086 9.0647 119.8724 59.2670 41.0910 174.6568 81 V 4.8894 9.7635 123.2518 59.7087 34.7375 174.7993 82 Q 4.8234 8.9194 126.7807 54.6467 29.6912 174.8154 83 V 4.4109 8.7078 127.5087 62.2474 32.5575 175.2498 84 A 3.9637 9.1438 128.5933 50.8124 19.0566 174.8868 85 P 3.9328 0.0000 0.0000 65.5613 31.2855 176.2473 86 G 3.7439 10.2947 113.0945 45.2338 0.0000 169.8764 87 Q 4.5569 7.1081 117.0462 55.6231 33.4447 173.5086 88 K 4.6436 7.8970 116.6832 56.9706 34.7106 175.2501 89 I 4.3008 7.7479 119.5814 58.9204 38.0399 176.2612 90 E 3.7905 8.6661 125.9480 59.0350 29.5174 179.3722 91 A 4.1799 8.0067 119.7955 53.9518 18.5075 177.5379 92 L 4.6489 8.1064 115.1187 54.1566 42.4715 177.0796 93 E 4.5973 8.1141 121.3209 54.6752 30.1495 175.8607 94 G 4.0744 8.1848 119.5623 45.9314 0.0000 171.3193 *95 L 4.1219 9.0615 124.6137 54.2353 41.6291 177.6158 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 3 T 8.17 4.13 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 4 A 8.22 3.31 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 5 Y 9.23 4.47 0.00 2.95 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 6 D 7.56 4.67 0.00 2.68 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 7 V 7.91 3.80 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 0.96 0.00 0.00 0.92 0.00 0.00 8 I 7.67 4.33 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.57 0.68 0.00 0.00 9 L 8.85 4.65 0.00 1.82 1.79 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.87 4.91 1.48 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 0.00 0.00 11 P 0.00 5.16 0.00 2.11 2.15 0.00 4.01 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 12 V 8.16 2.30 1.58 0.00 0.00 0.00 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 0.89 0.00 0.00 13 L 9.03 3.21 0.00 1.83 1.92 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 14 S 5.89 4.58 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 15 E 8.24 4.19 0.00 2.08 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 0.00 2.43 2.44 0.00 16 K 8.16 3.68 0.00 1.69 1.68 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.37 7.81 17 A 7.64 3.58 0.68 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 18 Y 8.50 2.39 0.00 2.89 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 19 A 5.86 3.44 1.44 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 0.00 0.00 20 G 7.15 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 0.00 0.00 0.00 21 F 9.10 4.44 0.00 2.88 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 22 A 7.99 4.10 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 23 E 7.77 4.32 0.00 2.01 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 2.27 2.21 0.00 24 G 8.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.78 0.00 1.74 1.72 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.50 7.81 26 Y 9.06 5.09 0.00 2.78 2.35 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 27 T 8.31 4.82 4.21 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 1.06 0.00 0.00 28 F 9.43 5.04 0.00 2.84 3.27 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 29 W 8.52 5.33 0.00 3.51 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 30 V 8.49 4.94 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 0.70 0.00 0.00 1.00 0.00 0.00 31 H 9.21 4.25 0.00 3.28 3.27 0.00 5.81 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 32 P 0.00 4.20 0.00 2.25 2.21 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 33 K 7.46 4.24 0.00 1.66 1.82 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.22 1.33 7.81 34 A 7.27 4.93 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 35 T 7.99 4.59 4.42 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 1.23 0.00 0.00 36 K 8.90 3.90 0.00 1.78 1.87 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.42 7.81 37 T 7.88 4.17 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 38 E 7.85 4.39 0.00 1.98 2.11 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 2.28 2.36 0.00 39 I 9.02 3.66 2.00 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 1.58 0.64 0.88 0.00 0.00 40 K 9.00 3.61 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 41 N 8.33 4.11 0.00 2.77 2.87 0.00 0.00 6.74 7.54 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 42 A 7.54 3.98 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 43 V 8.27 3.51 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 1.06 0.00 0.00 0.69 0.00 0.00 44 E 8.72 4.00 0.00 2.04 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 2.37 2.48 0.00 45 T 7.84 3.87 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 1.25 0.00 0.00 46 A 8.98 3.94 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 47 F 8.88 4.58 0.00 3.02 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 48 K 7.68 4.01 0.00 1.81 1.97 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.65 7.81 49 V 7.93 4.46 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 0.69 0.00 0.00 1.03 0.00 0.00 50 K 8.63 5.34 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.27 7.81 51 V 8.74 4.83 2.11 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 0.94 0.00 0.00 0.99 0.00 0.00 52 V 8.82 4.35 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 0.80 0.00 0.00 0.94 0.00 0.00 53 K 7.50 4.17 0.00 1.81 1.59 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.33 7.81 54 V 8.69 4.79 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 0.89 0.00 0.00 0.94 0.00 0.00 55 N 9.24 5.09 0.00 2.64 2.65 0.00 0.00 6.01 7.52 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 56 T 8.27 5.21 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 1.20 0.00 0.00 57 L 8.01 4.50 0.00 1.73 1.69 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.96 4.77 0.00 3.11 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.64 4.25 2.45 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 1.08 0.00 0.00 1.20 0.00 0.00 60 R 8.80 4.05 0.00 1.89 1.90 0.00 3.31 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 61 G 8.64 3.88 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 0.00 0.00 0.00 62 K 8.90 4.27 0.00 1.72 1.76 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.47 7.81 63 K 8.56 4.81 0.00 1.92 1.79 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 64 K 8.09 4.82 0.00 1.72 1.74 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.35 7.81 65 R 8.28 4.70 0.00 1.74 1.75 0.00 3.33 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 66 L 8.46 4.57 0.00 1.72 1.57 0.97 1.27 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 67 G 8.34 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 68 R 7.82 4.18 0.00 1.84 1.85 0.00 3.18 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 69 Y 7.09 4.50 0.00 3.23 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 70 L 8.58 4.83 0.00 1.66 1.63 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.46 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 0.00 0.00 0.00 0.00 72 K 8.49 4.86 0.00 1.57 1.66 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.50 7.81 73 R 8.83 4.56 0.00 1.76 1.80 0.00 3.15 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 74 P 0.00 4.36 0.00 2.05 2.14 0.00 3.62 0.00 0.00 3.73 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 75 D 8.56 4.88 0.00 2.56 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 76 R 8.70 4.83 0.00 1.80 1.85 0.00 2.99 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.42 0.00 77 K 8.51 4.91 0.00 1.86 1.86 0.00 1.96 0.00 0.00 1.86 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.35 7.81 78 K 8.83 5.27 0.00 1.70 1.86 0.00 0.79 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.31 1.07 7.81 79 A 8.79 5.03 1.29 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 80 I 9.06 4.91 1.80 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 1.21 1.96 0.90 0.00 0.00 81 V 9.76 4.89 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 0.69 0.00 0.00 1.28 0.00 0.00 82 Q 8.92 4.82 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 83 V 8.71 4.41 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 0.96 0.00 0.00 1.19 0.00 0.00 84 A 9.14 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 85 P 0.00 3.93 0.00 2.18 2.15 0.00 3.77 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 2.00 2.00 0.00 86 G 10.29 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 0.00 0.00 0.00 87 Q 7.11 4.56 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 88 K 7.90 4.64 0.00 1.92 1.86 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.59 7.81 89 I 7.75 4.30 0.56 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.69 0.00 0.00 90 E 8.67 3.79 0.00 1.98 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 0.00 2.40 2.26 0.00 91 A 8.01 4.18 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.65 0.00 0.75 0.84 0.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.11 4.60 0.00 1.98 1.87 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 2.29 2.45 0.00 94 G 8.18 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 *95 L 9.06 4.12 0.00 1.42 1.50 0.92 0.69 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 * Residues marked with a * may have inaccurate shift predictions.