NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5558 8.3001 118.7936 54.0749 34.9839 175.2660 2 A 4.3047 6.9242 121.3456 53.0056 22.6840 175.0993 3 E 4.4381 9.0855 122.7876 56.2504 31.3798 170.1019 4 P 4.3766 0.0000 0.0000 63.9954 30.9197 175.6606 5 G 3.8539 8.7382 110.6248 46.0299 0.0000 173.1191 6 I 3.3599 8.2620 122.5276 64.1290 37.4445 177.6513 7 D 4.5328 7.9352 118.0141 57.3418 41.0975 178.1393 8 K 4.0687 8.0013 118.4920 59.5441 31.9070 179.1526 9 L 3.9194 8.0479 119.1462 57.8662 41.4439 179.4031 10 F 4.6988 7.5989 115.5886 59.5921 38.9378 177.3114 11 G 3.8854 7.7704 105.0943 47.1340 0.0000 174.8687 12 M 3.3361 7.9276 114.4434 59.3010 31.9000 179.3853 13 V 3.9350 8.2114 117.8860 61.5831 34.6950 175.3999 14 D 4.1543 8.6954 123.0879 54.2108 37.9670 177.7498 15 S 3.8368 9.2861 114.4627 58.5055 63.6566 173.6877 16 K 3.9441 8.6300 128.9975 60.2225 31.7055 177.6761 17 Y 4.5210 7.2500 114.9506 60.7676 38.0398 177.3916 18 R 3.9617 8.6235 120.5433 59.5549 30.0033 177.7418 19 L 3.8197 7.9270 119.0201 58.9499 42.0920 178.9240 20 T 3.8854 7.5950 113.8628 67.1071 68.2131 176.3379 21 V 3.5702 8.1164 120.1743 65.7702 31.5698 177.7850 22 V 3.8419 7.7460 117.0863 66.6061 31.2397 177.8977 23 V 3.4178 8.1829 117.2362 66.0598 31.2275 177.9902 24 A 4.0121 7.7866 119.7485 55.0698 18.1055 179.4429 25 K 4.0757 8.6548 119.1898 58.9899 32.0971 178.5630 26 R 4.0242 8.8085 119.6759 59.4730 29.9606 178.1442 27 A 4.2038 8.5484 120.8856 55.2355 18.3834 179.4873 28 Q 4.3399 8.5276 115.8654 56.5819 28.7040 177.0134 29 Q 4.3802 8.1090 118.8010 57.0895 33.3296 176.8021 30 L 4.5049 8.6954 120.1234 54.3614 41.6780 179.5725 31 L 4.4814 8.3563 110.6810 54.8155 38.6372 175.3720 32 R 4.3843 7.7135 118.6834 57.3413 33.0298 175.1194 33 H 4.8225 8.1717 111.9933 57.9177 33.1784 174.6528 34 R 4.2961 9.0040 117.3045 56.4289 27.1486 179.7480 *35 F 4.6187 9.0169 131.5370 58.7768 36.6412 176.3060 36 K 4.3400 7.4471 121.7963 55.7315 31.5873 181.1718 37 N 4.9081 7.8306 117.3445 53.7928 40.8216 175.3397 38 T 4.0800 6.9485 114.4953 63.9096 69.1984 173.6442 39 V 4.4996 8.1323 116.8567 63.5445 35.7898 174.1561 40 L 4.3618 8.5398 120.1487 57.5767 42.7179 179.9516 41 E 4.0138 7.6733 114.2430 57.9388 31.6241 181.4321 42 P 4.6998 0.0000 0.0000 62.3181 30.5634 177.5620 43 E 4.0103 8.9434 112.7513 58.2973 30.2479 173.9291 44 E 4.5419 7.7862 117.9995 56.3317 28.6218 176.3754 45 R 4.2771 7.1973 117.3189 54.0773 32.5525 176.4977 46 P 4.3076 0.0000 0.0000 61.8495 30.3605 174.5873 47 K 4.6889 8.0978 122.8827 54.9388 34.1677 175.2893 48 M 4.5960 8.6303 124.1910 54.0042 34.2880 175.3530 49 R 4.4558 8.4680 124.3067 56.3835 31.9557 176.8080 50 T 4.0597 8.9906 115.0188 64.5239 71.3314 177.2178 51 L 3.4246 8.5222 125.6292 55.5596 41.8505 175.2135 52 E 4.2201 8.5980 114.8743 57.3822 30.7866 179.9241 53 G 3.9691 7.2288 105.7599 46.0337 0.0000 171.7562 54 L 5.4246 8.5279 123.1108 53.5902 43.1666 175.1156 *55 Y 4.8094 8.7385 124.5447 56.5685 38.5604 169.7911 56 D 5.6970 8.3293 124.3894 51.6544 41.2074 173.2442 57 D 5.2259 8.6612 117.1847 51.8932 41.4920 176.0893 58 P 4.6539 0.0000 0.0000 62.9127 30.8875 176.5771 59 N 4.6568 8.4749 119.8379 51.5241 37.6115 174.8898 60 A 3.5012 7.4079 121.6133 54.7853 18.9094 178.7047 61 V 3.6014 7.9472 108.5990 64.5803 32.0613 178.5272 62 T 3.9320 8.0721 115.0944 66.9655 68.1653 176.3029 63 W 4.1303 8.6499 118.5103 60.4269 29.5792 177.5738 64 A 3.5647 8.4682 116.3315 55.8062 17.6110 179.2075 65 M 3.8712 8.0599 115.2769 57.9618 32.6593 179.2015 66 K 4.2101 7.4947 114.7655 58.1687 32.2951 178.1793 67 E 4.6213 8.4529 120.7963 57.1851 30.2189 177.6135 68 L 4.1279 7.6790 120.1697 58.0253 42.2713 178.2367 69 L 4.1628 8.0717 118.1807 57.7930 42.3364 178.0715 70 T 4.0700 8.2702 116.4382 64.1415 67.8152 174.7989 71 G 3.9344 7.6067 119.5452 46.7944 0.0000 175.1064 72 R 4.0959 7.9023 118.4020 56.2293 29.9381 175.8966 73 L 3.6353 8.6039 124.1441 56.9567 40.3357 173.6186 *74 F 4.0471 7.9544 115.8926 57.4112 40.8067 168.2618 75 F 5.0711 7.8142 113.3849 57.3921 41.2510 175.1016 76 G 4.2412 8.2054 107.9796 45.1021 0.0000 176.4827 77 E 4.6571 8.9272 121.1436 54.8540 28.7569 173.1472 78 N 5.0409 7.5085 116.5584 51.3291 40.8481 173.9983 79 L 3.6431 8.0354 117.1451 59.2437 39.3012 178.7833 80 V 3.6350 7.6696 116.8152 63.2913 32.7424 178.2296 81 P 4.6341 0.0000 0.0000 61.7929 29.3888 176.5925 82 E 3.9858 8.5534 126.7072 62.4501 29.6704 178.0265 83 D 4.6075 8.1901 118.9137 57.7494 40.5213 178.6845 84 R 4.2260 7.9203 115.5027 57.3443 29.8533 178.0587 85 L 4.2552 8.2445 123.6019 57.2309 42.4949 178.0472 86 Q 4.5536 7.9229 121.5305 58.6097 29.4081 182.4485 87 K 4.3141 8.4205 126.4532 60.6034 31.9505 183.9967 88 E 3.9707 7.9426 118.2531 61.1648 29.4872 181.6408 89 M 4.3131 7.7142 117.4039 58.7919 31.7082 178.2692 90 E 3.9477 8.6528 119.6295 59.0612 29.8683 178.5181 91 R 4.3047 7.5553 117.3757 57.7639 30.3102 176.3817 92 L 4.0295 8.0697 120.1257 55.1918 43.5675 177.0170 *93 Y 3.6378 7.5671 116.0161 57.3548 33.8719 169.2146 94 P 4.7694 0.0000 0.0000 60.9499 31.5846 176.3936 95 T 3.2068 8.6797 111.5369 62.8408 68.4001 170.0493 96 E 4.5287 7.8782 119.9840 57.1676 33.0978 173.1484 97 E 4.8413 8.5482 114.3622 57.2572 33.3256 173.8654 98 E 4.3215 8.4105 116.0465 58.1081 30.5421 175.5377 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 M 8.30 4.56 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 6.92 4.30 1.02 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 0.00 0.00 3 E 9.09 4.44 0.00 1.94 1.82 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 2.31 2.22 0.00 4 P 0.00 4.38 0.00 2.00 2.05 0.00 3.68 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 2.01 2.09 0.00 5 G 8.74 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 6 I 8.26 3.36 2.02 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.53 0.96 0.00 0.00 7 D 7.94 4.53 0.00 2.73 2.77 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 8 K 8.00 4.07 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.55 7.81 9 L 8.05 3.92 0.00 1.42 1.58 0.77 1.34 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 10 F 7.60 4.70 0.00 3.25 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 11 G 7.77 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 12 M 7.93 3.34 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.62 0.00 13 V 8.21 3.94 1.79 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 0.12 0.00 0.00 0.92 0.00 0.00 14 D 8.70 4.15 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 9.29 3.84 0.00 3.83 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 16 K 8.63 3.94 0.00 1.50 1.20 0.00 1.41 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.56 1.24 7.81 17 Y 7.25 4.52 0.00 3.03 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 18 R 8.62 3.96 0.00 1.78 2.10 0.00 3.19 0.00 0.00 2.77 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 19 L 7.93 3.82 0.00 1.77 1.87 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.60 3.89 4.53 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 1.26 0.00 0.00 21 V 8.12 3.57 2.31 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 1.00 0.00 0.00 1.02 0.00 0.00 22 V 7.75 3.84 2.15 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 1.06 0.00 0.00 0.90 0.00 0.00 23 V 8.18 3.42 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 0.97 0.00 0.00 0.93 0.00 0.00 24 A 7.79 4.01 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.65 4.08 0.00 1.78 1.88 0.00 1.78 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 26 R 8.81 4.02 0.00 1.98 2.17 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 27 A 8.55 4.20 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 28 Q 8.53 4.34 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 29 Q 8.11 4.38 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 30 L 8.70 4.50 0.00 1.91 0.52 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.36 4.48 0.00 1.38 1.41 -0.35 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.71 4.38 0.00 1.62 1.98 0.00 3.07 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 33 H 8.17 4.82 0.00 3.16 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.00 4.30 0.00 1.82 1.14 0.00 3.32 0.00 0.00 3.26 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 *35 F 9.02 4.62 0.00 2.30 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 36 K 7.45 4.34 0.00 1.77 1.70 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.02 7.81 37 N 7.83 4.91 0.00 2.64 2.85 0.00 0.00 7.15 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 38 T 6.95 4.08 4.37 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 1.67 0.00 0.00 39 V 8.13 4.50 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 0.76 0.00 0.00 1.02 0.00 0.00 40 L 8.54 4.36 0.00 1.59 1.91 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.67 4.01 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 2.22 1.93 0.00 42 P 0.00 4.70 0.00 2.20 2.18 0.00 3.65 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 2.17 1.98 0.00 43 E 8.94 4.01 0.00 2.01 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 2.24 1.89 0.00 44 E 7.79 4.54 0.00 2.02 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 2.18 2.26 0.00 45 R 7.20 4.28 0.00 1.82 1.72 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 46 P 0.00 4.31 0.00 0.93 1.57 0.00 2.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.64 0.00 47 K 8.10 4.69 0.00 1.58 1.69 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.53 7.81 48 M 8.63 4.60 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 49 R 8.47 4.46 0.00 1.73 1.83 0.00 3.30 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 50 T 8.99 4.06 4.25 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 1.22 0.00 0.00 51 L 8.52 3.42 0.00 1.73 1.38 0.92 0.86 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 52 E 8.60 4.22 0.00 1.98 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 2.24 1.91 0.00 53 G 7.23 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.53 5.42 0.00 1.63 1.63 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *55 Y 8.74 4.81 0.00 2.34 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 56 D 8.33 5.70 0.00 2.69 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 57 D 8.66 5.23 0.00 2.95 2.85 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 58 P 0.00 4.65 0.00 2.08 2.11 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 59 N 8.47 4.66 0.00 2.83 2.91 0.00 0.00 7.11 8.53 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 60 A 7.41 3.50 1.25 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 0.00 0.00 61 V 7.95 3.60 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 0.92 0.00 0.00 0.96 0.00 0.00 62 T 8.07 3.93 4.75 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 1.28 0.00 0.00 63 W 8.65 4.13 0.00 3.28 3.36 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 64 A 8.47 3.56 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 65 M 8.06 3.87 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 66 K 7.49 4.21 0.00 1.83 1.82 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 67 E 8.45 4.62 0.00 2.13 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 0.00 2.34 2.25 0.00 68 L 7.68 4.13 0.00 1.85 1.92 1.08 0.60 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 69 L 8.07 4.16 0.00 1.69 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.27 4.07 4.40 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 1.22 0.00 0.00 71 G 7.61 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.90 4.10 0.00 1.82 1.88 0.00 3.48 0.00 0.00 3.21 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.60 3.64 0.00 1.80 1.79 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *74 F 7.95 4.05 0.00 2.27 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 0.00 0.00 0.00 75 F 7.81 5.07 0.00 2.98 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 76 G 8.21 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 0.00 0.00 0.00 0.00 77 E 8.93 4.66 0.00 1.91 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 2.20 2.33 0.00 78 N 7.51 5.04 0.00 2.82 2.76 0.00 0.00 6.37 7.79 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 79 L 8.04 3.64 0.00 1.82 1.80 0.93 0.87 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 80 V 7.67 3.64 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 0.76 0.00 0.00 0.93 0.00 0.00 81 P 0.00 4.63 0.00 2.29 2.24 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 82 E 8.55 3.99 0.00 1.99 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 2.32 2.00 0.00 83 D 8.19 4.61 0.00 2.68 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 84 R 7.92 4.23 0.00 1.98 1.96 0.00 3.11 0.00 0.00 3.09 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 85 L 8.24 4.26 0.00 1.69 1.87 0.93 0.58 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 86 Q 7.92 4.55 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.70 0.00 0.00 0.00 0.00 0.00 2.27 1.96 0.00 87 K 8.42 4.31 0.00 1.75 1.84 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 88 E 7.94 3.97 0.00 1.99 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 2.25 2.23 0.00 89 M 7.71 4.31 0.00 1.95 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.81 0.00 90 E 8.65 3.95 0.00 1.90 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 0.00 2.31 2.30 0.00 91 R 7.56 4.30 0.00 1.92 2.05 0.00 3.29 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 92 L 8.07 4.03 0.00 1.61 1.55 0.97 0.64 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 *93 Y 7.57 3.64 0.00 2.41 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.77 0.00 2.05 1.90 0.00 3.86 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 1.83 1.88 0.00 95 T 8.68 3.21 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 96 E 7.88 4.53 0.00 1.92 1.13 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 2.13 1.87 0.00 97 E 8.55 4.84 0.00 1.93 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 2.13 1.87 0.00 98 E 8.41 4.32 0.00 1.90 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 2.22 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.