NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8107 8.2133 108.0296 46.0161 0.0000 173.3449 *2 I 4.4025 7.4254 122.5663 60.3822 38.6063 174.1538 3 K 5.1511 8.7131 127.5167 54.5127 35.4720 175.2603 4 K 4.7553 8.9012 124.3131 54.8675 36.2307 175.1463 5 E 3.6475 8.1926 122.8322 54.9884 32.6570 173.7338 6 G 3.6561 6.6265 111.0300 43.7830 0.0000 170.3886 7 P 4.2402 0.0000 0.0000 64.7853 31.1636 177.1239 8 G 4.0850 10.7172 112.0089 44.7693 0.0000 171.6222 9 W 5.5966 7.7794 115.5920 55.9175 31.9159 173.5097 10 R 4.8989 8.8874 115.9189 55.5258 32.8469 173.8112 11 I 5.3483 8.8909 120.5772 59.9914 41.7584 174.4200 12 I 5.1265 9.1092 126.9778 59.5162 41.2346 173.8493 13 F 5.1958 9.2937 129.5246 56.3628 41.7200 174.1696 14 D 4.6939 8.2424 126.0511 52.1200 42.6576 176.4657 15 S 3.8705 8.7340 122.2751 60.0888 63.2020 175.6997 16 S 4.2551 7.9805 115.1003 59.6893 63.3034 174.4873 17 R 4.2733 7.3238 120.9286 55.6253 30.5342 176.4864 18 D 4.4400 8.7064 122.5072 56.1167 40.7438 175.1605 19 N 4.5982 7.3565 114.3914 53.9626 42.2345 173.8143 20 F 5.0911 7.6134 121.2980 56.6405 38.0670 175.7793 21 S 4.5110 8.0122 115.9722 59.0378 64.8992 174.7024 22 T 5.2042 8.2605 118.1620 61.7240 71.9213 172.6073 23 L 5.4381 9.2441 127.2376 53.2018 45.3454 174.9676 24 I 5.3337 9.1069 119.1597 59.3245 40.7509 174.6577 25 G 3.8459 9.8421 111.4254 44.6866 0.0000 172.3927 26 G 4.0564 5.3800 111.9709 42.5493 0.0000 172.4875 27 E 3.9729 8.8218 119.1998 58.7833 29.7359 178.6120 28 T 4.6340 7.6156 105.4341 60.5153 69.4051 173.0456 29 W 5.0295 7.1829 117.1534 56.1661 30.6007 172.7178 30 A 5.4133 8.4271 119.9980 50.8933 21.7416 175.6438 31 I 4.7912 9.2173 113.9532 59.2381 41.3176 174.4111 32 E 5.0245 8.7933 123.3963 55.8891 30.9369 175.6551 33 L 5.5096 9.6144 122.8277 53.1222 46.3135 176.2516 34 D 5.4086 9.3601 121.0265 51.6042 41.0814 177.6620 35 K 4.1465 8.7204 119.0771 59.8253 31.9947 179.5089 36 S 4.2002 8.2117 112.8365 61.4988 62.4488 175.8977 37 E 4.3208 9.2419 121.8036 59.1332 29.2471 179.0875 38 W 4.4470 8.7276 128.4805 60.4571 30.8967 177.6581 39 K 3.6772 8.3275 119.4804 59.7855 31.5283 178.7093 40 I 3.6991 7.7744 119.6141 64.0781 36.9425 177.9155 41 L 2.9855 7.8924 121.2400 58.0850 41.5261 179.3388 42 V 3.1563 6.8427 116.2336 65.8669 31.4106 177.4840 43 E 3.9824 7.6218 117.2958 59.1718 29.4564 179.3082 44 V 3.7052 7.9045 118.6526 65.7785 31.6281 179.5114 45 V 3.8055 7.5709 116.1678 63.2006 31.2533 177.1686 *47 E 4.1554 8.1488 119.1003 55.7110 31.4624 177.7159 48 L 3.8363 8.0398 118.7059 57.7881 41.5132 178.8595 49 C 3.3920 8.1349 118.9146 62.5298 31.3050 175.4000 50 D 4.2534 7.8712 119.7328 57.3602 40.4750 178.4351 51 Q 3.8585 7.8858 119.9058 59.1929 29.0708 177.5108 52 Y 3.9485 8.1703 120.9238 60.8017 38.5523 178.2425 53 K 3.6787 7.8919 118.0186 59.3019 32.2267 179.1585 54 L 3.9813 7.5145 119.0245 57.7933 41.6423 179.2972 55 V 3.4510 7.5478 118.0946 66.1132 31.1658 177.7214 56 K 3.4934 7.9631 119.2546 59.1822 31.5301 177.6012 57 E 4.1019 7.7573 118.8051 57.7323 29.8470 177.3818 58 Q 4.3703 7.8211 116.0241 54.8121 29.1323 181.4219 59 L 4.4685 6.9885 116.3225 55.0732 43.4999 178.8736 *61 G 4.0417 7.9489 110.6994 46.7792 0.0000 174.4265 62 D 4.8786 8.8514 124.1768 52.5264 39.8940 175.2834 63 E 4.0561 8.1438 119.0188 58.2149 29.7921 175.8643 64 D 5.3559 8.4839 121.4336 51.6143 42.9583 174.6603 65 I 4.7942 8.8770 118.0793 59.6739 41.9167 173.6946 66 T 5.1926 8.5771 123.4659 61.7782 71.7336 173.2524 67 L 4.8106 9.2282 125.7780 52.8493 45.3824 175.0368 68 E 5.1774 8.9127 124.2294 54.2633 32.5706 174.7128 69 L 4.7144 9.0287 127.8353 53.4279 45.6856 174.1431 70 E 5.1486 8.9744 127.1565 54.4664 31.8510 175.1791 71 R 4.4397 9.0636 126.7127 54.0955 31.6532 174.0902 72 R 4.1350 8.7047 124.0155 56.7873 30.5770 174.7449 73 P 4.6598 0.0000 0.0000 62.6926 32.7929 174.7708 74 W 5.2911 8.5320 120.9457 55.2260 32.1357 174.6729 75 L 5.2501 9.2801 125.3269 53.3527 44.4149 174.8048 76 A 5.3647 9.3305 128.4939 50.1839 22.3400 174.7838 77 I 4.8549 9.0660 122.2079 59.4986 40.7060 174.1616 78 L 5.2167 9.1122 130.2176 53.4434 44.2732 174.7068 79 N 5.5013 8.9613 122.9373 51.7604 42.0475 173.9831 80 G 4.4090 9.1126 110.3546 46.2676 0.0000 170.3102 81 D 5.1496 8.9418 117.9125 52.1772 41.9695 175.6189 82 Q 3.9896 8.5802 115.6921 58.8454 28.5514 176.3082 83 Y 4.5773 8.3411 115.4536 57.4231 39.0157 175.3312 84 G 4.1162 7.2785 107.3080 45.6424 0.0000 170.8772 85 W 5.6559 7.1396 114.5287 55.0238 31.6804 173.6088 86 N 5.1572 9.3007 119.2325 51.1740 40.5758 173.0962 87 L 5.2706 8.5235 120.6639 53.6983 45.8374 174.4062 88 R 5.1428 9.3294 127.2406 54.6149 32.5901 174.4152 89 L 5.3717 9.1159 126.1101 53.0058 45.2541 175.3305 90 I 4.7452 9.2321 124.6092 59.4623 40.1487 174.1724 91 L 4.3772 8.8611 130.4277 53.2921 43.3782 175.9094 92 S 4.7796 8.5088 122.9922 57.6931 64.2401 174.2341 93 A 5.1141 8.1716 124.0675 51.3995 19.6171 176.9010 *97 F 5.5971 8.0289 121.0656 58.2959 39.5106 174.4964 98 N 4.6381 7.6840 121.2794 52.1168 39.7188 174.8969 99 R 4.0005 8.6145 120.4506 57.2359 30.4113 176.5105 100 G 3.9591 8.4151 111.4198 46.4145 0.0000 172.0805 101 A 4.7317 8.4578 121.4179 50.9570 23.4194 175.1400 102 E 5.0308 8.3081 117.4963 55.0357 33.5722 175.5118 103 V 3.7736 8.5312 116.1021 59.9086 36.6932 173.4787 104 Y 5.1924 7.1235 121.2079 56.3291 41.7832 173.6294 105 W 5.0381 8.6452 126.2138 54.2782 32.5460 173.9845 106 P 4.7360 0.0000 0.0000 61.3730 33.3397 175.1516 107 R 4.1641 8.1613 117.9394 57.8708 29.9719 176.1921 108 H 4.5685 8.6163 122.8469 56.8154 27.4317 177.4979 109 V 3.5350 7.5984 117.6553 66.1886 31.0705 177.6418 110 T 3.1178 6.9666 109.2344 64.8984 68.0591 175.8971 111 N 4.2001 7.1089 117.6539 55.9881 38.5190 177.1779 112 N 4.0568 7.4762 117.3636 55.8226 38.4585 177.5064 113 V 2.2590 6.3458 118.7169 65.3194 31.4774 177.9368 114 V 3.5641 7.2137 116.8781 66.1157 31.4821 177.2256 115 N 4.4177 7.7093 114.4650 56.1991 38.4871 177.7766 116 A 4.1899 7.5417 120.0087 52.6899 18.1957 179.3905 *118 R 4.0552 8.0164 121.9768 56.7960 32.2407 175.7116 119 S 4.3532 7.6905 115.3059 57.0395 63.1640 174.8089 *121 W 4.6137 8.3852 125.0925 55.7352 30.0467 172.2778 122 D 4.8354 8.6180 125.0961 55.7157 41.4473 175.8089 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 0 G 8.21 3.81 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 0.00 0.00 0.00 *2 I 7.43 4.40 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.96 0.00 0.00 3 K 8.71 5.15 0.00 1.69 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.38 7.81 4 K 8.90 4.76 0.00 1.96 1.93 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 5 E 8.19 3.65 0.00 1.54 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 1.82 2.01 0.00 6 G 6.63 3.66 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 0.00 7 P 0.00 4.24 0.00 2.10 2.06 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 8 G 10.72 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 0.00 0.00 0.00 9 W 7.78 5.60 0.00 3.39 3.04 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 10 R 8.89 4.90 0.00 1.76 1.77 0.00 2.65 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 11 I 8.89 5.35 2.09 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.94 0.00 0.00 12 I 9.11 5.13 1.88 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 1.10 0.89 0.94 0.00 0.00 13 F 9.29 5.20 0.00 2.69 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 14 D 8.24 4.69 0.00 2.53 2.29 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 15 S 8.73 3.87 0.00 3.99 3.98 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 0.00 0.00 0.00 16 S 7.98 4.26 0.00 3.97 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 17 R 7.32 4.27 0.00 1.87 1.91 0.00 3.31 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 18 D 8.71 4.44 0.00 2.65 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 19 N 7.36 4.60 0.00 2.58 2.39 0.00 0.00 7.22 7.71 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 20 F 7.61 5.09 0.00 3.16 3.04 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 21 S 8.01 4.51 0.00 3.87 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 0.00 22 T 8.26 5.20 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 0.84 0.00 0.00 23 L 9.24 5.44 0.00 1.70 1.51 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.11 5.33 2.62 0.00 0.00 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 1.60 1.14 1.46 0.00 0.00 25 G 9.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 5.38 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 27 E 8.82 3.97 0.00 1.98 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 2.29 2.29 0.00 28 T 7.62 4.63 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 1.27 0.00 0.00 29 W 7.18 5.03 0.00 3.50 3.14 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 30 A 8.43 5.41 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 31 I 9.22 4.79 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.98 0.00 0.00 32 E 8.79 5.02 0.00 1.72 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 2.33 2.34 0.00 33 L 9.61 5.51 0.00 1.86 1.91 1.57 0.64 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 34 D 9.36 5.41 0.00 2.79 2.58 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 35 K 8.72 4.15 0.00 1.88 2.04 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.68 1.56 7.81 36 S 8.21 4.20 0.00 3.95 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 37 E 9.24 4.32 0.00 2.49 2.39 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 2.33 2.55 0.00 38 W 8.73 4.45 0.00 3.59 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 39 K 8.33 3.68 0.00 2.04 2.03 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 40 I 7.77 3.70 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 1.11 0.00 0.00 41 L 7.89 2.99 0.00 1.12 1.45 -0.28 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 42 V 6.84 3.16 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 -0.46 0.00 0.00 43 E 7.62 3.98 0.00 2.07 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 2.27 2.33 0.00 44 V 7.90 3.71 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 1.01 0.00 0.00 0.97 0.00 0.00 45 V 7.57 3.81 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 0.91 0.00 0.00 0.89 0.00 0.00 *47 E 8.15 4.16 0.00 2.05 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 2.22 2.29 0.00 48 L 8.04 3.84 0.00 1.68 1.46 0.89 0.94 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 49 C 8.13 3.39 0.00 2.72 2.82 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 50 D 7.87 4.25 0.00 2.65 2.64 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 51 Q 7.89 3.86 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 52 Y 8.17 3.95 0.00 2.75 2.76 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 53 K 7.89 3.68 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.72 1.63 7.81 54 L 7.51 3.98 0.00 1.70 1.61 0.86 1.01 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 55 V 7.55 3.45 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 0.93 0.00 0.00 0.90 0.00 0.00 56 K 7.96 3.49 0.00 0.82 1.54 0.00 1.45 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.27 7.81 57 E 7.76 4.10 0.00 1.85 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 2.45 2.37 0.00 58 Q 7.82 4.37 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 59 L 6.99 4.47 0.00 1.74 1.57 0.90 0.82 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 *61 G 7.95 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 62 D 8.85 4.88 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.06 0.00 1.95 1.95 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 2.34 2.34 0.00 64 D 8.48 5.36 0.00 2.83 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 65 I 8.88 4.79 1.91 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 1.26 1.61 1.12 0.00 0.00 66 T 8.58 5.19 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 1.28 0.00 0.00 67 L 9.23 4.81 0.00 1.48 1.49 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.91 5.18 0.00 1.95 1.80 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 2.19 2.29 0.00 69 L 9.03 4.71 0.00 1.73 1.43 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.97 5.15 0.00 2.02 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 2.22 2.52 0.00 71 R 9.06 4.44 0.00 1.91 1.83 0.00 3.25 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 72 R 8.70 4.14 0.00 2.11 1.89 0.00 3.37 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.22 0.00 73 P 0.00 4.66 0.00 1.75 2.11 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.83 0.00 74 W 8.53 5.29 0.00 3.46 3.15 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 75 L 9.28 5.25 0.00 1.72 1.54 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.33 5.36 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 77 I 9.07 4.85 1.95 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 1.15 0.89 0.97 0.00 0.00 78 L 9.11 5.22 0.00 1.64 1.59 -0.02 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.96 5.50 0.00 3.06 2.75 0.00 0.00 6.33 6.94 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 80 G 9.11 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.94 5.15 0.00 3.01 2.88 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 82 Q 8.58 3.99 0.00 1.85 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.92 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 83 Y 8.34 4.58 0.00 3.19 3.11 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 84 G 7.28 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.14 5.66 0.00 3.18 2.39 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 86 N 9.30 5.16 0.00 2.74 2.93 0.00 0.00 6.50 6.43 0.00 0.00 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 L 8.52 5.27 0.00 2.05 1.69 1.16 1.54 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 88 R 9.33 5.14 0.00 2.12 1.86 0.00 3.10 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 89 L 9.12 5.37 0.00 1.56 1.85 0.82 0.57 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 90 I 9.23 4.75 1.90 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 1.16 1.11 0.88 0.00 0.00 91 L 8.86 4.38 0.00 0.98 1.33 -0.42 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.51 4.78 0.00 3.68 3.70 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 93 A 8.17 5.11 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 *97 F 8.03 5.60 0.00 2.53 2.29 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 98 N 7.68 4.64 0.00 2.82 2.81 0.00 0.00 6.58 7.66 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 99 R 8.61 4.00 0.00 1.71 1.78 0.00 3.15 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 100 G 8.42 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 0.00 101 A 8.46 4.73 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.31 5.03 0.00 1.67 1.70 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 2.14 2.25 0.00 103 V 8.53 3.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.21 0.00 0.00 104 Y 7.12 5.19 0.00 2.78 2.66 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 0.00 105 W 8.65 5.04 0.00 3.20 2.64 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 0.00 106 P 0.00 4.74 0.00 2.16 2.40 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 107 R 8.16 4.16 0.00 1.58 1.53 0.00 3.35 0.00 0.00 3.90 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 108 H 8.62 4.57 0.00 3.34 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.60 3.54 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 1.02 0.00 0.00 1.00 0.00 0.00 110 T 6.97 3.12 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 0.68 0.00 0.00 111 N 7.11 4.20 0.00 2.80 2.85 0.00 0.00 7.07 6.80 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 0.00 112 N 7.48 4.06 0.00 2.20 2.55 0.00 0.00 6.78 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 0.00 113 V 6.35 2.26 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 -0.28 0.00 0.00 -0.59 0.00 0.00 114 V 7.21 3.56 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 0.88 0.00 0.00 1.14 0.00 0.00 115 N 7.71 4.42 0.00 2.74 2.82 0.00 0.00 7.08 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.54 4.19 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 *118 R 8.02 4.06 0.00 1.98 2.03 0.00 3.14 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 119 S 7.69 4.35 0.00 3.90 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 *121 W 8.39 4.61 0.00 2.57 2.25 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 0.00 122 D 8.62 4.84 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.