NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3227 8.3449 119.6852 55.8502 29.5558 176.1212 3 K 4.1280 9.2973 128.4187 57.1494 33.4988 175.0222 4 I 4.3669 7.6168 119.1876 59.2076 41.0581 174.1930 5 N 4.6507 8.5210 123.9677 51.9886 38.6223 175.1254 6 I 3.7647 8.3052 128.0957 64.4767 37.4726 178.6407 7 D 4.4739 8.0542 118.9085 56.5697 40.6859 177.1781 8 R 4.5367 8.0225 117.6430 56.0942 30.8692 175.9656 9 H 4.7404 7.9757 118.2214 54.1678 31.3535 173.1493 10 A 4.0125 8.3690 131.5402 55.2835 18.3933 178.8820 11 T 3.7446 7.7314 113.6110 66.8608 68.3533 176.4041 12 A 4.0357 7.8892 120.5320 55.3402 18.5739 179.2490 13 Q 4.1020 7.9731 115.5210 58.9599 29.0465 178.6573 14 I 3.9255 8.0698 121.1982 64.3969 37.2960 179.1753 15 N 4.6459 7.8632 114.9515 53.6435 38.1889 176.8548 *17 L 4.1958 7.9458 124.1241 55.0942 43.9400 178.5654 18 A 4.0602 8.1060 120.2702 55.3581 18.5887 179.0865 19 N 4.5277 8.0702 112.1735 56.5159 38.6625 177.6065 20 K 4.2304 7.9564 118.1713 59.0956 32.1563 179.7643 21 L 4.2161 8.2385 118.7438 54.7718 41.3700 178.6152 *23 L 4.3019 7.8804 118.7615 54.0245 43.0502 178.8880 24 K 3.2785 7.2485 118.7763 57.7386 30.9368 173.7327 *29 Y 4.4021 8.1841 126.4947 58.8384 39.8769 174.5404 30 T 4.1756 5.7900 109.9682 62.5087 71.0427 176.1822 31 Q 4.1265 6.8541 119.1248 58.0069 28.8476 178.2222 32 K 3.7916 8.7620 118.7882 59.4592 32.0005 176.7268 33 F 4.2805 8.2143 113.9858 57.3879 38.8633 176.5542 34 G 4.0603 9.0874 109.8736 45.0906 0.0000 173.3690 35 I 4.9718 7.5152 111.9092 58.7890 42.5190 177.3793 36 G 3.7570 9.6187 112.0056 46.5860 0.0000 175.9590 *38 T 4.2784 9.0592 120.4486 63.5634 71.0357 175.7873 39 E 3.9763 8.2604 120.2837 59.2096 29.4351 179.0689 40 W 4.2476 8.4551 128.3971 60.6148 30.7957 178.2157 41 R 3.7461 8.0150 117.5133 59.2109 29.5077 179.0318 42 I 3.6294 7.8608 119.6246 64.2779 37.1230 178.3069 43 I 3.4797 7.8417 121.0568 64.5779 36.6825 178.5811 44 S 3.1810 7.4016 114.7761 61.1540 62.8607 176.6448 45 V 3.5545 7.4851 120.7613 66.0390 30.8402 178.1461 46 L 3.9165 7.8227 118.5865 57.7679 41.1444 179.6409 47 S 3.6767 7.4843 114.4531 60.7418 62.6533 176.1083 48 S 4.2568 7.6110 115.8479 59.4987 63.3677 173.8430 49 A 4.4013 6.6016 122.2352 51.2738 22.1187 175.6636 50 S 4.5740 8.4409 114.7051 57.5983 65.2710 173.7219 51 D 4.2948 8.9199 119.5250 55.7668 38.3127 173.3399 52 C 4.4773 7.9763 118.1414 59.1502 29.9814 173.4527 53 S 5.1933 8.0109 115.2068 56.1580 66.7398 175.1369 54 V 3.5633 8.2390 121.6768 66.1336 31.1626 177.9936 55 Q 3.9237 7.9917 118.7186 59.2607 29.0123 178.3463 56 K 3.9669 8.0747 119.4015 59.4368 32.0765 179.5414 57 I 3.6630 7.8027 120.0869 64.3392 37.0510 178.2278 58 S 4.1241 8.2470 114.2691 61.7336 62.1328 175.3642 59 D 4.2930 8.2951 120.8265 57.6121 40.7714 178.3479 60 I 3.8260 7.9615 113.5411 63.2375 37.8206 177.1982 61 L 4.3866 7.9256 118.9221 53.7052 42.1386 176.4126 62 G 3.9077 7.9107 106.8991 46.8318 0.0000 173.5929 63 L 4.8180 7.6065 118.1019 51.9450 44.7774 177.3510 64 D 4.5486 8.3187 121.4616 53.1867 41.5146 177.6216 65 K 3.8941 8.6731 120.9203 59.6345 32.0248 179.4092 66 A 3.9331 8.0058 120.2216 55.1434 18.4213 179.3477 67 A 3.9068 9.2545 120.2597 55.2015 18.4200 180.0113 68 V 3.5077 7.8460 116.6567 66.2297 31.6197 178.2378 69 S 4.0673 8.3976 115.2199 61.7590 62.6742 176.8568 70 R 3.9160 8.0947 120.5530 59.8246 29.8866 179.3170 71 T 3.8808 7.9944 115.2676 66.5394 68.4009 176.8761 72 V 3.5984 8.2327 120.6709 65.7710 31.4468 177.9772 73 K 3.8884 8.1906 119.3167 59.5311 32.2460 178.5221 74 K 3.8585 8.2003 119.8938 59.6968 31.9205 178.4377 75 L 4.3138 8.0563 118.7732 57.0421 41.6088 179.0714 76 E 4.1934 8.1457 120.3242 59.0518 29.2563 178.8226 77 E 3.9952 8.0866 117.2786 59.5943 29.7049 179.1012 78 K 4.0818 7.6306 114.3601 56.2939 32.1896 177.7914 79 K 3.9954 7.9879 118.3027 56.9522 30.1087 176.4714 80 Y 4.7626 8.0891 118.9731 59.3421 39.3382 175.4944 81 I 5.1344 7.7974 118.6162 59.3906 41.7855 174.0034 82 E 4.9638 9.1911 124.9256 54.5691 33.8795 174.2456 83 V 5.0931 7.8643 119.9548 58.7613 34.6919 174.3455 *93 Y 4.1001 8.2266 115.8201 57.9218 38.0751 174.5303 94 A 4.8466 8.3553 127.4417 50.4851 21.2481 175.2668 95 I 4.5386 8.8495 124.6290 60.1833 39.2091 174.9701 96 N 5.3051 8.7524 122.8876 51.1674 43.1942 173.8365 97 L 4.6892 8.4319 121.1514 54.7466 42.8459 177.1378 98 T 4.1636 8.8442 113.8350 60.6693 70.7275 175.7575 99 E 4.0604 8.7154 117.4215 56.9842 29.2397 179.6676 *101 G 3.9471 8.2515 109.8572 45.7765 0.0000 175.8357 102 Q 3.9869 8.2137 120.9905 58.6332 28.9529 177.8501 103 E 3.9150 8.5208 120.7377 59.1300 29.7346 178.2956 104 L 3.7796 8.0120 119.9042 58.4114 41.9771 178.2294 105 Y 4.2295 7.7969 118.6819 60.8663 38.7083 177.9270 106 E 3.8210 8.1760 119.4569 59.2713 29.5081 179.5878 107 V 3.5393 8.2629 118.3662 65.9726 31.4061 177.9950 108 A 3.1883 7.2241 119.1184 54.7781 18.3211 179.5431 109 S 4.1134 7.8662 113.7456 61.7888 62.9362 176.3590 110 D 4.3555 8.4357 121.1227 57.4726 40.7489 178.3297 111 F 4.2171 8.8076 117.4519 59.6060 39.1964 176.1805 112 A 4.6340 7.6916 120.0118 52.2561 19.1761 178.8858 113 I 3.7006 7.4069 122.5653 65.3473 37.9102 177.7555 114 E 4.0252 8.1318 118.2954 59.3556 29.3786 179.2201 115 R 3.9848 7.9600 118.6861 58.9439 30.0545 178.7912 116 E 3.9597 8.0343 118.1145 59.3585 29.3266 179.3127 117 K 3.9919 7.8278 117.5092 59.3706 32.4662 178.8792 118 Q 4.1012 8.0885 119.8955 59.1129 28.7881 177.9784 119 L 4.0166 7.9149 120.3798 57.6338 42.2829 178.0108 120 L 4.2346 7.6191 116.6711 54.2263 41.5246 177.8516 121 E 3.9559 7.6840 120.6844 59.9123 29.4445 178.2381 122 E 4.3929 8.3577 113.9375 56.4395 29.7326 175.8064 123 F 4.7261 8.2835 119.3545 55.8875 40.3425 176.5056 124 E 4.3143 9.6300 125.7771 55.8769 31.2783 178.0277 125 E 4.0470 8.7413 119.5448 59.7487 29.5387 179.5605 126 A 4.0325 8.0341 120.2660 55.2146 18.3760 179.4349 127 E 4.0038 8.1691 116.6656 59.3771 29.6792 179.3980 128 K 3.9795 8.3666 118.5678 59.6154 32.1865 178.8562 129 D 4.5557 8.4265 119.2151 57.7579 40.7262 179.0945 130 Q 4.0294 8.2362 118.2241 58.7831 28.6273 178.4509 131 L 3.8568 8.2004 121.6383 58.4995 42.0675 179.2452 132 F 4.2923 8.1445 117.2380 60.1809 38.7930 177.9646 133 I 3.7700 8.0237 119.8443 64.4436 36.9458 178.4542 134 L 4.0319 8.2152 120.0220 57.7592 41.3710 179.5318 135 L 4.0315 8.2423 119.2834 57.5951 41.4815 179.5242 136 K 3.9748 8.2072 119.6987 59.3829 32.1986 178.9268 137 K 3.9410 8.0711 118.8267 59.5497 31.8872 179.2999 138 L 3.9956 7.9113 119.0868 57.8861 41.5776 179.8155 139 R 3.9209 8.2884 118.2467 59.2697 29.7671 178.7429 140 N 4.3273 8.1052 115.4101 56.3149 38.8607 177.0620 141 K 4.0929 8.0460 120.8549 59.3709 32.0929 179.0035 142 V 3.6018 7.8492 117.8934 66.1877 31.4639 177.2910 143 D 4.4847 7.9627 117.6674 57.1897 40.7008 176.6082 144 Q 4.1735 7.8799 121.9727 56.0629 28.8388 175.5121 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 2 Q 8.34 4.32 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 3 K 9.30 4.13 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.52 7.81 4 I 7.62 4.37 1.80 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 1.24 0.57 0.68 0.00 0.00 5 N 8.52 4.65 0.00 2.79 2.73 0.00 0.00 7.21 7.98 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 6 I 8.31 3.76 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 0.92 0.00 0.00 7 D 8.05 4.47 0.00 2.82 2.74 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 8 R 8.02 4.54 0.00 1.80 1.91 0.00 3.28 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 9 H 7.98 4.74 0.00 3.43 3.29 0.00 5.78 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 10 A 8.37 4.01 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 11 T 7.73 3.74 4.10 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 0.00 0.00 1.21 0.00 0.00 12 A 7.89 4.04 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 13 Q 7.97 4.10 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 14 I 8.07 3.93 2.07 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 1.52 0.69 0.91 0.00 0.00 15 N 7.86 4.65 0.00 2.77 2.83 0.00 0.00 6.69 6.62 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 *17 L 7.95 4.20 0.00 1.85 1.88 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.11 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 19 N 8.07 4.53 0.00 2.76 2.91 0.00 0.00 7.09 6.93 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 20 K 7.96 4.23 0.00 1.74 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.54 7.81 21 L 8.24 4.22 0.00 1.87 1.72 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *23 L 7.88 4.30 0.00 1.78 1.86 0.99 0.54 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 24 K 7.25 3.28 0.00 1.92 1.71 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.43 7.81 *29 Y 8.18 4.40 0.00 2.89 2.95 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 30 T 5.79 4.18 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 0.17 0.00 0.00 31 Q 6.85 4.13 0.00 2.37 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.80 2.47 0.00 32 K 8.76 3.79 0.00 1.89 2.03 0.00 1.81 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.73 1.31 7.81 33 F 8.21 4.28 0.00 3.09 3.02 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 34 G 9.09 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 0.00 0.00 0.00 35 I 7.52 4.97 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 1.03 0.00 0.00 36 G 9.62 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 *38 T 9.06 4.28 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 1.22 0.00 0.00 39 E 8.26 3.98 0.00 2.28 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 2.46 2.42 0.00 40 W 8.46 4.25 0.00 3.32 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 41 R 8.01 3.75 0.00 2.01 1.92 0.00 3.23 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 42 I 7.86 3.63 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 1.47 0.68 0.85 0.00 0.00 43 I 7.84 3.48 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.87 0.64 0.00 0.00 44 S 7.40 3.18 0.00 3.56 3.57 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 0.00 0.00 0.00 0.00 45 V 7.49 3.55 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 0.94 0.00 0.00 0.90 0.00 0.00 46 L 7.82 3.92 0.00 1.70 1.60 0.87 0.70 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 47 S 7.48 3.68 0.00 3.00 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 48 S 7.61 4.26 0.00 3.94 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 49 A 6.60 4.40 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 50 S 8.44 4.57 0.00 4.07 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 51 D 8.92 4.29 0.00 2.75 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 52 C 7.98 4.48 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 5.19 0.00 4.02 3.94 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 0.00 0.00 0.00 54 V 8.24 3.56 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 1.07 0.00 0.00 0.88 0.00 0.00 55 Q 7.99 3.92 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 56 K 8.07 3.97 0.00 1.99 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 57 I 7.80 3.66 1.97 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 1.36 0.98 0.87 0.00 0.00 58 S 8.25 4.12 0.00 3.90 4.10 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 0.00 0.00 0.00 59 D 8.30 4.29 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.83 1.85 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 1.65 0.67 0.95 0.00 0.00 61 L 7.93 4.39 0.00 1.70 1.74 0.88 0.63 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 62 G 7.91 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 63 L 7.61 4.82 0.00 1.62 1.55 0.92 1.05 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 64 D 8.32 4.55 0.00 2.86 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 65 K 8.67 3.89 0.00 1.80 1.88 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.52 1.50 7.81 66 A 8.01 3.93 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 67 A 9.25 3.91 1.42 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 68 V 7.85 3.51 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 1.02 0.00 0.00 0.95 0.00 0.00 69 S 8.40 4.07 0.00 4.02 3.86 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 70 R 8.09 3.92 0.00 1.99 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 71 T 7.99 3.88 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 1.23 0.00 0.00 72 V 8.23 3.60 2.21 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 0.99 0.00 0.00 0.93 0.00 0.00 73 K 8.19 3.89 0.00 1.85 1.97 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 74 K 8.20 3.86 0.00 2.02 1.98 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 75 L 8.06 4.31 0.00 1.95 1.83 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.15 4.19 0.00 2.21 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 2.50 2.39 0.00 77 E 8.09 4.00 0.00 2.10 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 2.35 2.53 0.00 78 K 7.63 4.08 0.00 1.77 1.53 0.00 1.92 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.62 7.81 79 K 7.99 4.00 0.00 1.59 1.87 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.43 7.81 80 Y 8.09 4.76 0.00 3.07 2.89 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 81 I 7.80 5.13 1.92 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 1.25 1.35 0.98 0.00 0.00 82 E 9.19 4.96 0.00 1.96 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 0.00 2.19 2.37 0.00 83 V 7.86 5.09 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 1.09 0.00 0.00 1.11 0.00 0.00 *93 Y 8.23 4.10 0.00 3.00 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 94 A 8.36 4.85 1.23 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 95 I 8.85 4.54 1.87 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 1.26 1.11 0.91 0.00 0.00 96 N 8.75 5.31 0.00 2.61 2.63 0.00 0.00 6.68 6.69 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 97 L 8.43 4.69 0.00 1.50 1.59 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.84 4.16 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 1.24 0.00 0.00 99 E 8.72 4.06 0.00 2.08 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 2.42 2.33 0.00 *101 G 8.25 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 0.00 102 Q 8.21 3.99 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 103 E 8.52 3.92 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 2.34 2.34 0.00 104 L 8.01 3.78 0.00 1.57 1.63 0.73 0.03 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 0.00 105 Y 7.80 4.23 0.00 2.89 3.05 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 0.00 106 E 8.18 3.82 0.00 2.09 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 2.40 2.63 0.00 107 V 8.26 3.54 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 0.85 0.00 0.00 0.99 0.00 0.00 108 A 7.22 3.19 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.87 4.11 0.00 3.84 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 0.00 110 D 8.44 4.36 0.00 2.93 2.94 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 0.00 0.00 0.00 111 F 8.81 4.22 0.00 3.25 3.29 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 0.00 112 A 7.69 4.63 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 0.00 113 I 7.41 3.70 2.03 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 1.55 1.19 0.88 0.00 0.00 114 E 8.13 4.03 0.00 2.19 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 0.00 2.37 2.34 0.00 115 R 7.96 3.98 0.00 2.05 2.03 0.00 3.31 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 116 E 8.03 3.96 0.00 2.18 2.02 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 2.41 2.36 0.00 117 K 7.83 3.99 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 118 Q 8.09 4.10 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 119 L 7.91 4.02 0.00 1.73 1.85 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.62 4.23 0.00 1.66 1.42 0.87 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.68 3.96 0.00 2.11 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 2.39 2.54 0.00 122 E 8.36 4.39 0.00 2.00 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 2.37 2.30 0.00 123 F 8.28 4.73 0.00 3.12 3.02 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 0.00 124 E 9.63 4.31 0.00 1.96 1.91 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 2.47 2.49 0.00 125 E 8.74 4.05 0.00 2.01 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 2.44 2.36 0.00 126 A 8.03 4.03 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 0.00 127 E 8.17 4.00 0.00 2.31 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 2.34 2.38 0.00 128 K 8.37 3.98 0.00 2.10 2.06 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.81 7.81 129 D 8.43 4.56 0.00 2.94 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 0.00 130 Q 8.24 4.03 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 131 L 8.20 3.86 0.00 1.70 1.51 0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.14 4.29 0.00 3.18 3.05 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 0.00 133 I 8.02 3.77 2.07 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 1.57 0.79 0.94 0.00 0.00 134 L 8.22 4.03 0.00 1.80 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.24 4.03 0.00 1.75 1.77 0.78 1.26 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 0.00 136 K 8.21 3.97 0.00 1.97 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 137 K 8.07 3.94 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.70 7.81 138 L 7.91 4.00 0.00 1.88 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.29 3.92 0.00 1.86 1.99 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 140 N 8.11 4.33 0.00 2.86 2.89 0.00 0.00 7.02 7.13 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 0.00 141 K 8.05 4.09 0.00 1.90 1.92 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 142 V 7.85 3.60 2.19 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 0.88 0.00 0.00 0.99 0.00 0.00 143 D 7.96 4.48 0.00 2.90 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 0.00 144 Q 7.88 4.17 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.