NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4904 0.0000 0.0000 62.2953 33.6466 176.6166 5 H 4.8733 9.0780 113.0488 54.2069 34.1652 170.6150 6 Q 4.4681 8.2811 125.0568 54.1928 33.1043 172.9364 7 I 4.9752 8.2640 125.5124 59.4283 40.7485 173.9146 8 I 4.9923 8.6582 129.4348 59.4834 40.6078 174.3849 9 L 4.7234 8.9544 128.0899 53.8517 43.1896 175.4118 10 L 4.9327 8.7150 126.9324 53.4169 43.9063 175.0700 11 A 5.1329 8.6034 128.2514 50.0162 22.5431 175.0455 12 H 4.6119 9.0689 117.1246 56.1708 29.2636 176.2718 13 G 3.9463 8.7504 111.4144 46.0495 0.0000 171.8863 14 S 4.3814 7.6449 111.8842 57.4514 64.6499 174.9727 15 S 4.1999 8.5040 119.4645 59.4336 63.5057 174.5028 16 D 4.5139 8.1768 121.5846 53.3159 41.5172 176.0899 17 A 4.0647 8.7603 130.0586 55.6137 18.3148 179.2519 18 R 3.9512 8.5954 116.5822 58.9445 30.1066 179.0148 19 W 4.1717 8.2829 127.7082 60.9290 30.8330 177.6460 20 C 4.4003 8.2846 116.3553 62.9113 27.5248 175.8728 21 E 4.0401 8.5575 120.9990 59.4991 29.2154 178.9473 22 T 3.8147 8.0343 115.8497 66.7713 68.4898 176.6907 23 F 3.7361 8.4293 119.6582 60.3101 38.7018 177.5903 24 E 4.0824 8.6393 118.0071 59.4632 29.5723 179.2875 25 K 4.1294 8.2454 118.4633 59.4116 31.8868 179.3003 26 L 3.8774 7.7785 118.1237 57.7247 41.7198 179.0331 27 A 4.2011 8.2426 119.8289 53.7789 18.4792 179.0415 28 E 3.8576 7.7695 118.1938 59.1661 29.6180 177.2685 29 P 4.2579 0.0000 0.0000 65.6774 31.3138 178.7568 30 T 3.8203 7.7977 114.1324 66.7378 68.2755 176.6861 31 V 3.5738 7.7877 118.8937 66.1127 31.5796 177.6213 32 E 4.1151 8.4483 117.9247 59.0146 29.3399 178.7971 33 S 4.4809 7.6501 113.8001 58.7860 63.9675 174.5858 34 I 4.3092 7.6534 125.7207 59.4726 38.4826 175.5222 35 E 4.0839 8.8691 121.4167 57.6065 29.6237 173.3948 36 N 4.2036 9.0911 119.0198 52.4510 36.8432 174.2918 37 A 4.8720 7.7409 119.2817 52.1573 19.0679 177.1809 38 A 4.6621 8.2986 120.6220 50.4897 23.1187 174.9146 39 I 4.5944 8.2467 119.8144 60.1465 39.2764 174.7476 40 A 4.7140 8.8239 129.4263 50.6230 22.9265 174.5426 41 Y 5.7861 8.7572 117.3743 55.9976 41.9481 174.7742 *43 E 4.1429 8.6161 118.7131 58.3666 31.0559 177.5326 44 L 3.8422 8.8817 119.3579 54.7849 40.8016 174.8776 45 A 4.6724 7.7238 119.2013 50.0407 21.7275 174.8848 46 E 4.8544 8.4824 119.8582 54.4714 31.4824 174.2331 47 P 4.8249 0.0000 0.0000 62.1229 33.4999 175.7948 48 S 5.0827 8.9718 116.8027 57.5295 64.2788 175.1386 49 L 3.9160 8.6533 120.1990 58.0530 41.2652 179.4854 50 D 4.3011 8.0527 118.2160 57.6542 40.8193 178.7703 51 T 3.8259 7.9298 115.9937 66.7529 68.4233 176.7004 52 I 3.6826 7.6370 121.5408 64.3265 37.0464 178.7004 53 V 3.2322 7.9369 119.3623 65.9313 31.3131 177.6412 54 N 4.2405 8.4307 116.4931 56.4710 38.0209 177.5896 55 R 3.9098 8.0307 118.9929 59.2301 30.1328 178.9733 56 A 4.3601 8.2489 122.0445 54.5310 18.3436 179.5889 57 K 4.5707 8.0606 119.9189 59.2641 32.1065 179.1409 58 G 3.7380 7.9620 104.7960 47.6976 0.0000 174.5573 59 Q 4.4319 7.6847 117.6716 55.6877 28.7415 177.1214 60 G 3.9980 8.2252 108.9717 44.9585 0.0000 173.7317 61 V 3.8907 8.0598 121.0020 61.9684 32.1408 175.5944 62 E 4.9459 8.5808 124.1115 55.8735 32.1558 174.7827 63 Q 5.1549 7.3395 117.1652 54.1359 31.9616 174.7024 64 F 5.2380 9.4184 121.3775 56.0785 44.1787 173.6855 65 T 5.0844 8.7935 117.1384 61.9189 71.9306 173.0588 66 V 4.5433 8.8952 127.1032 61.3486 33.6013 174.5265 67 V 4.4046 8.7372 129.1142 60.4771 33.3209 172.8852 68 P 4.1238 0.0000 0.0000 61.7343 32.0171 177.2455 69 L 4.8775 8.0116 128.8504 53.7083 39.4633 176.5596 70 F 5.3300 7.5190 118.4109 55.4865 42.9781 177.0042 71 L 4.0936 8.8652 124.7320 57.5816 41.8356 176.6998 72 A 4.8533 7.7094 117.8730 50.8990 21.9882 174.8186 73 A 4.5249 8.4065 122.1284 49.8730 21.1553 177.6932 74 G 3.9071 8.3229 110.2730 43.8769 0.0000 173.4836 75 R 3.8882 8.4513 118.6520 59.8559 29.8125 178.1779 76 H 4.2365 7.9843 115.1334 59.0402 28.8411 177.4563 77 L 3.9986 7.9544 120.1074 58.1209 41.2275 179.7393 78 R 3.9783 7.9481 116.7710 58.7432 30.0995 178.5131 79 K 4.1962 7.7627 118.4341 59.1134 32.3055 178.4623 80 D 4.4327 8.3444 118.4016 56.8793 40.8835 178.8106 81 V 3.7794 7.7818 118.1369 65.7182 31.9046 176.1347 82 P 4.4470 0.0000 0.0000 65.1755 31.0151 178.7874 83 A 4.3417 7.6837 118.4102 52.7408 17.9080 179.2735 *85 I 4.0739 7.9456 121.3318 63.0830 39.3103 178.1373 86 E 4.1110 8.3708 119.8103 59.3475 29.1246 179.3950 87 R 3.8640 8.2080 118.8080 59.5087 30.2003 178.5241 88 L 3.9888 7.8679 118.1698 57.8426 41.6364 179.2068 89 E 4.1643 8.6391 119.6379 58.8320 29.1977 179.3853 90 A 3.9622 7.8883 119.5463 55.1034 18.5603 179.0221 91 E 3.9454 8.1685 116.7870 59.2138 29.8709 177.8853 92 H 4.7517 8.1708 113.0535 54.3196 30.2977 174.7129 93 G 3.9135 8.1451 108.7658 46.9938 0.0000 172.9401 94 V 4.8109 7.3328 110.0119 59.7341 37.2120 175.9388 95 T 4.7727 9.0516 118.6296 62.0476 70.9293 173.8154 96 I 5.0445 9.1740 127.1991 59.5468 40.3586 174.9178 97 R 4.3001 9.1214 128.9927 55.2980 31.4930 174.8901 98 L 4.7095 8.5249 128.8570 53.8485 42.3960 175.9889 99 A 4.3660 8.6837 128.9674 51.2660 19.2860 176.9580 100 E 4.1187 8.6539 118.8462 55.4009 30.4616 175.7710 101 P 4.5369 0.0000 0.0000 62.5206 32.2244 177.4853 102 I 3.7116 8.4938 114.5313 64.0118 37.4495 178.4825 103 G 4.2944 7.9580 108.5004 47.3382 0.0000 174.4720 104 K 4.1557 7.9674 118.1140 57.6242 32.7329 176.5287 105 N 4.6855 8.0682 119.5741 51.7472 39.8664 174.0350 106 P 4.3195 0.0000 0.0000 66.0477 31.1800 178.7442 107 R 3.9643 8.5603 118.1044 59.1287 29.8288 178.8978 108 L 4.1321 8.1745 119.1680 57.5133 41.6802 179.5303 109 G 3.6374 8.0442 105.2838 47.8279 0.0000 175.5829 110 L 3.9986 7.9416 121.0615 57.3863 41.5488 179.3903 111 A 3.9790 8.1123 120.7299 55.1744 18.2253 179.6423 112 I 3.5961 7.8801 118.3070 64.5778 37.2000 178.4223 113 R 3.8747 7.8719 119.2701 59.7380 29.8363 178.1858 114 D 4.3458 8.1018 118.5065 57.3833 40.7220 179.0195 115 V 3.5672 8.0682 118.9800 65.8597 31.4362 178.1918 116 V 3.5633 8.1121 118.3948 66.0410 31.3856 178.1675 117 K 3.9628 8.2247 118.1857 59.4283 31.8430 179.1667 118 E 3.9738 8.1681 118.8740 59.5844 29.3569 179.3434 119 E 4.0218 8.4541 118.6998 59.2789 29.2363 179.4144 120 L 4.0609 8.2084 121.2831 58.3282 41.6994 179.6854 121 E 4.2127 8.0188 119.6992 61.6234 29.7219 182.2982 122 R 4.3015 7.7579 120.6368 61.3807 29.5978 179.6093 123 S 4.6313 8.0136 119.4653 58.6360 63.0032 174.0674 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 P 0.00 4.49 0.00 1.78 1.84 0.00 3.66 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 1.92 1.60 0.00 5 H 9.08 4.87 0.00 3.09 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.28 4.47 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 7 I 8.26 4.98 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.91 0.00 0.00 8 I 8.66 4.99 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.84 0.00 0.00 9 L 8.95 4.72 0.00 1.51 1.55 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.72 4.93 0.00 1.64 1.31 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.60 5.13 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 12 H 9.07 4.61 0.00 3.27 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.75 3.95 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 0.00 14 S 7.64 4.38 0.00 2.72 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 15 S 8.50 4.20 0.00 3.80 3.82 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 0.00 0.00 0.00 16 D 8.18 4.51 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.06 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 18 R 8.60 3.95 0.00 2.25 2.07 0.00 3.19 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 19 W 8.28 4.17 0.00 3.52 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 20 C 8.28 4.40 0.00 3.10 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 21 E 8.56 4.04 0.00 2.20 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 2.33 2.42 0.00 22 T 8.03 3.81 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 0.91 0.00 0.00 23 F 8.43 3.74 0.00 3.40 3.34 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 24 E 8.64 4.08 0.00 2.16 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 0.00 2.80 2.64 0.00 25 K 8.25 4.13 0.00 1.87 1.82 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.83 1.61 7.81 26 L 7.78 3.88 0.00 1.55 1.56 0.09 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.24 4.20 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 28 E 7.77 3.86 0.00 2.15 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 0.00 2.30 2.45 0.00 29 P 0.00 4.26 0.00 2.18 2.06 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 30 T 7.80 3.82 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 31 V 7.79 3.57 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 0.83 0.00 0.00 1.03 0.00 0.00 32 E 8.45 4.12 0.00 2.09 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 2.34 2.35 0.00 33 S 7.65 4.48 0.00 3.84 3.90 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 34 I 7.65 4.31 1.96 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 1.15 1.17 0.91 0.00 0.00 35 E 8.87 4.08 0.00 1.98 1.78 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 2.24 1.92 0.00 36 N 9.09 4.20 0.00 2.84 2.94 0.00 0.00 7.09 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 37 A 7.74 4.87 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 38 A 8.30 4.66 1.19 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 0.00 0.00 0.00 39 I 8.25 4.59 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.86 0.87 0.00 0.00 40 A 8.82 4.71 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 41 Y 8.76 5.79 0.00 3.06 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 *43 E 8.62 4.14 0.00 2.04 2.13 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 2.28 2.31 0.00 44 L 8.88 3.84 0.00 1.70 1.78 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.72 4.67 0.63 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 0.00 0.00 46 E 8.48 4.85 0.00 1.89 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 0.00 2.28 2.26 0.00 47 P 0.00 4.82 0.00 2.13 2.20 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 48 S 8.97 5.08 0.00 3.96 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 0.00 49 L 8.65 3.92 0.00 1.67 1.69 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.05 4.30 0.00 2.69 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 51 T 7.93 3.83 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 1.27 0.00 0.00 52 I 7.64 3.68 1.81 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 1.55 0.85 0.93 0.00 0.00 53 V 7.94 3.23 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 0.73 0.00 0.00 0.37 0.00 0.00 54 N 8.43 4.24 0.00 2.90 2.85 0.00 0.00 7.09 7.64 0.00 0.00 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 R 8.03 3.91 0.00 2.02 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 56 A 8.25 4.36 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.06 4.57 0.00 2.04 1.87 0.00 1.88 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.41 7.81 58 G 7.96 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 59 Q 7.68 4.43 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.32 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 60 G 8.23 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 61 V 8.06 3.89 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 0.21 0.00 0.00 0.85 0.00 0.00 62 E 8.58 4.95 0.00 1.91 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 0.00 2.35 2.32 0.00 63 Q 7.34 5.15 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 64 F 9.42 5.24 0.00 2.91 2.84 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 65 T 8.79 5.08 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 1.25 0.00 0.00 66 V 8.90 4.54 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 0.93 0.00 0.00 0.90 0.00 0.00 67 V 8.74 4.40 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 0.94 0.00 0.00 0.92 0.00 0.00 68 P 0.00 4.12 0.00 1.58 0.78 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 69 L 8.01 4.88 0.00 1.72 1.88 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.52 5.33 0.00 3.04 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 71 L 8.87 4.09 0.00 1.79 1.77 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.71 4.85 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 73 A 8.41 4.52 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 74 G 8.32 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 3.89 0.00 1.92 1.82 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 76 H 7.98 4.24 0.00 3.20 3.30 0.00 5.69 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 77 L 7.95 4.00 0.00 1.76 1.69 0.11 0.68 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 78 R 7.95 3.98 0.00 1.98 2.02 0.00 3.17 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 79 K 7.76 4.20 0.00 1.86 1.95 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 80 D 8.34 4.43 0.00 2.72 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 81 V 7.78 3.78 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 0.91 0.00 0.00 1.12 0.00 0.00 82 P 0.00 4.45 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 83 A 7.68 4.34 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 *85 I 7.95 4.07 2.02 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 1.67 0.84 0.92 0.00 0.00 86 E 8.37 4.11 0.00 2.13 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 2.54 2.47 0.00 87 R 8.21 3.86 0.00 1.96 1.91 0.00 3.23 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 88 L 7.87 3.99 0.00 1.86 1.66 0.86 0.97 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 89 E 8.64 4.16 0.00 2.18 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 2.49 2.39 0.00 90 A 7.89 3.96 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 91 E 8.17 3.95 0.00 1.95 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 2.05 2.24 0.00 92 H 8.17 4.75 0.00 3.29 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.15 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 4.81 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 1.16 0.00 0.00 0.95 0.00 0.00 95 T 9.05 4.77 4.45 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 0.00 0.00 0.00 1.31 0.00 0.00 96 I 9.17 5.04 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.93 0.00 0.00 97 R 9.12 4.30 0.00 1.91 1.84 0.00 3.09 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 98 L 8.52 4.71 0.00 1.69 1.60 0.96 1.11 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 99 A 8.68 4.37 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 0.00 100 E 8.65 4.12 0.00 1.98 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 2.32 2.26 0.00 101 P 0.00 4.54 0.00 2.45 2.36 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 102 I 8.49 3.71 1.87 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 1.51 0.90 0.88 0.00 0.00 103 G 7.96 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 0.00 104 K 7.97 4.16 0.00 1.94 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.41 7.81 105 N 8.07 4.69 0.00 2.73 2.76 0.00 0.00 6.78 7.19 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 0.00 106 P 0.00 4.32 0.00 2.30 2.30 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 107 R 8.56 3.96 0.00 1.95 2.02 0.00 3.11 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 108 L 8.17 4.13 0.00 1.85 1.71 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.04 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.00 0.00 1.87 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.11 3.98 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 0.00 112 I 7.88 3.60 2.02 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 1.40 0.79 0.91 0.00 0.00 113 R 7.87 3.87 0.00 1.90 2.09 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 114 D 8.10 4.35 0.00 2.90 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 0.00 115 V 8.07 3.57 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 1.05 0.00 0.00 0.93 0.00 0.00 116 V 8.11 3.56 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 1.06 0.00 0.00 0.95 0.00 0.00 117 K 8.22 3.96 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 118 E 8.17 3.97 0.00 2.25 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 2.32 2.48 0.00 119 E 8.45 4.02 0.00 2.11 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 2.51 2.48 0.00 120 L 8.21 4.06 0.00 1.75 1.73 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.02 4.21 0.00 2.08 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 2.26 2.19 0.00 122 R 7.76 4.30 0.00 1.93 1.88 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 123 S 8.01 4.63 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.