NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7066 8.3549 109.7025 45.1873 0.0000 174.6074 2 F 4.2819 7.4761 117.7211 54.4400 39.5779 172.6788 3 P 4.4207 0.0000 0.0000 62.7847 32.7597 175.7236 4 I 4.3718 8.2557 122.2234 59.5521 37.4172 174.1261 5 P 4.2930 0.0000 0.0000 63.1561 31.6671 175.3824 6 D 4.9219 8.4684 121.4217 51.8549 42.9002 173.0876 7 P 4.5643 0.0000 0.0000 62.8679 31.5015 176.6891 8 Y 4.5713 8.7534 120.9482 57.1885 36.8995 174.4870 9 V 4.3738 7.3527 123.1431 59.7780 35.1972 174.8094 10 W 2.5400 8.0255 133.8075 56.9650 31.3730 174.7512 11 D 4.4474 6.4592 120.5914 50.8633 41.8745 174.2988 12 P 3.7651 0.0000 0.0000 65.4058 31.3475 178.5193 13 S 4.0932 7.7357 111.1981 59.9005 62.9383 174.7445 14 F 4.3856 7.2476 118.9408 57.0783 39.0115 175.8820 15 R 4.2585 7.5377 123.0501 56.9223 29.9376 176.2548 16 T 4.1159 9.1370 115.0770 61.4765 69.8397 175.6566 17 F 3.7736 7.8165 119.5464 58.2080 36.8573 174.5358 18 Y 4.6490 7.5372 119.5851 56.0165 39.3879 176.2034 19 S 4.1460 8.8068 122.1635 62.0335 63.0523 177.0245 20 I 3.7389 7.7947 121.4722 64.3103 36.8028 178.4670 21 I 3.7214 7.7841 120.1405 64.5937 37.0837 177.9946 22 D 4.4426 8.4931 120.0497 57.5683 40.3910 178.7261 23 D 4.0575 7.7922 118.3851 57.2291 40.9685 178.3855 24 E 4.0645 8.1240 119.2030 59.6197 29.5914 178.9199 25 H 4.3034 8.4175 116.6757 58.9580 28.8554 177.8378 26 K 3.9830 7.7818 120.4805 59.6774 31.7362 179.4314 27 T 3.9348 7.7235 109.6829 64.7049 68.6600 176.7223 28 L 3.9873 7.8122 121.3761 57.5093 41.6430 179.2193 29 F 4.0491 8.2262 117.4084 60.6111 38.7562 177.2073 30 N 4.4897 8.3973 116.6191 56.6120 38.5927 177.0456 31 G 3.7002 8.4428 107.2614 48.0838 0.0000 175.7933 32 I 3.7801 8.0821 122.5507 63.6539 36.6347 178.0158 33 F 4.1330 8.7784 122.0202 62.1192 39.1926 177.1409 34 H 4.1230 8.3401 115.2169 58.5230 28.2799 177.6676 35 L 4.1234 7.6258 120.1503 57.9442 41.5368 179.1308 36 A 4.1353 7.8066 119.4571 54.8982 18.2797 179.5111 37 I 4.1286 6.8657 117.3006 62.7097 37.6900 175.9751 38 D 4.5834 8.2873 120.8685 52.4394 42.3531 174.8031 39 D 4.7580 8.4292 129.0409 52.8231 39.8220 174.1005 40 N 5.0534 7.6973 120.9449 49.6301 42.2282 175.0078 41 A 3.9645 8.4037 121.2498 55.4878 18.4502 179.4629 42 D 4.2793 7.9952 116.7511 57.7208 40.9721 178.7033 43 N 4.3812 8.0255 116.4541 55.9553 38.5779 177.2141 44 L 3.7830 8.0384 122.1386 57.8477 42.0682 179.1302 45 G 3.5310 8.4033 106.2171 47.6447 0.0000 175.2661 46 E 3.8584 8.0053 121.3142 58.9607 29.7409 178.6866 47 L 3.8736 7.5786 119.9262 58.0785 42.0748 178.7362 48 R 3.6899 8.4147 119.0131 59.3175 29.8553 178.4559 49 R 3.7908 8.1003 118.4477 59.8223 30.1960 178.3326 50 C 4.0827 8.0852 116.4227 62.9741 27.9970 176.4691 51 T 3.6244 8.4275 117.9070 66.3264 68.1713 177.1542 52 G 3.5717 8.2007 108.0570 47.5579 0.0000 175.6956 53 K 3.9412 8.2720 122.4341 59.3902 32.2791 178.2674 54 H 4.6096 8.1022 119.7627 58.8924 29.7588 176.9448 55 F 4.3696 8.0739 119.4789 60.6403 38.6853 177.4476 56 L 4.0502 7.9714 119.3631 58.4075 41.9425 178.7363 57 N 4.3261 8.4042 116.5391 56.3589 38.3856 177.0774 58 E 3.8659 8.7083 121.1076 59.2174 29.7237 178.8127 59 Q 4.2145 8.5882 118.5977 59.1425 28.8643 178.9551 60 V 3.6258 8.1485 119.4973 65.9749 30.5946 177.8614 61 L 3.8834 7.8876 120.0761 58.2519 41.8593 178.8552 62 M 4.1634 8.2285 118.9795 58.5189 31.8593 178.7929 63 Q 3.8558 8.6069 118.3789 58.6753 28.5665 178.5211 64 A 4.0402 7.7543 121.1160 54.2456 18.1713 178.3025 65 S 4.5398 7.3526 112.0212 57.5170 64.0899 174.2668 66 Q 3.2114 8.1617 118.2208 56.2643 26.7459 174.2727 67 Y 4.3174 8.3499 118.4321 58.2072 39.7407 176.5371 68 Q 3.6144 8.5631 128.2246 58.6567 29.3803 177.1900 69 F 4.8286 5.5245 115.0327 57.2372 39.9616 177.2716 70 Y 4.2751 7.7547 123.1701 61.1486 38.6584 177.1384 71 D 4.3751 8.3378 119.3537 57.5205 40.8858 178.6459 72 E 4.0213 8.2145 117.4709 59.5852 29.5710 178.5293 73 H 4.0961 8.1518 118.6967 58.9984 30.0455 177.1512 74 K 3.7579 8.2760 124.2933 60.0036 31.8787 179.5006 75 K 4.3642 7.8764 125.0619 59.1020 31.6459 181.6899 76 E 4.3994 7.9255 119.3940 59.8126 29.4374 179.0036 77 H 3.6479 8.0689 116.2003 58.9974 28.8446 177.7254 78 E 4.1608 8.5047 122.5889 60.2013 29.2480 180.3268 *79 T 3.9902 7.9296 114.2374 65.9801 68.5450 179.2913 80 F 4.2567 7.9760 123.4651 61.0812 39.2356 177.1685 81 I 3.5608 8.0711 119.5022 64.7010 36.9689 177.8201 82 H 4.0782 8.4743 118.7645 59.1582 29.3279 177.2104 83 A 3.9241 7.8920 122.4516 55.1717 18.0235 179.6143 84 L 3.8887 7.5903 116.4210 57.8739 41.7421 178.9586 85 D 4.5768 8.1423 116.8559 55.2651 41.8038 175.9904 86 N 5.0353 7.6436 116.0777 51.6771 39.4072 175.0351 87 W 4.4344 8.3260 129.4193 57.9723 31.5501 175.7970 88 K 4.1436 7.3370 125.0871 53.8295 32.3810 173.8233 89 G 3.6881 5.3986 105.4141 46.9261 0.0000 175.3529 90 D 4.5499 6.2695 123.1400 53.4976 39.3536 177.3596 91 V 4.0704 7.9509 125.3864 65.2453 32.2413 177.2672 92 K 4.1110 8.1499 119.5785 59.2577 32.0809 178.5062 93 W 4.1789 8.5713 128.0825 60.4614 30.6867 177.7072 94 A 4.0318 8.3699 120.6092 55.1824 17.8246 179.6155 95 K 3.5100 8.2054 118.5528 59.0551 32.1236 179.5602 96 S 4.1656 7.9462 112.8892 60.7427 62.2323 175.8853 97 W 3.5509 8.0777 131.5970 60.0932 30.3158 177.6785 98 L 3.7706 7.8767 120.1351 58.0257 41.5316 178.7874 99 V 3.8044 7.4608 117.7857 66.5333 31.4547 177.8464 100 N 4.4003 8.1020 115.8905 56.3269 38.2773 177.0175 101 H 3.5378 7.8837 120.1645 58.9135 29.7847 177.4534 102 I 3.7129 7.5736 121.5058 64.4920 36.8592 178.7615 103 K 2.4800 7.3061 117.8756 57.9235 31.5768 178.5587 104 T 4.3278 7.4252 108.7031 62.8566 70.3976 176.2840 105 I 3.9250 7.0059 121.4266 63.5246 37.8306 177.7532 106 D 4.0021 7.9970 120.0140 57.2420 40.5471 178.8301 107 F 4.3281 8.2254 117.9207 60.1627 38.5683 177.7665 108 K 4.1644 7.6076 117.5687 59.0076 32.0828 177.9051 109 Y 4.3909 7.6113 116.3694 56.1755 38.1652 175.4224 110 K 4.2204 7.2676 121.3256 58.6923 32.4783 177.2175 111 G 4.0403 9.1210 111.5318 45.8310 0.0000 173.8512 112 K 4.6486 8.6136 117.8001 55.9211 33.6429 176.3269 113 I 4.4083 7.5502 116.8134 59.7970 37.6093 174.9378 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 G 8.35 3.71 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 0.00 0.00 0.00 2 F 7.48 4.28 0.00 3.13 2.83 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 0.00 3 P 0.00 4.42 0.00 2.24 2.09 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 4 I 8.26 4.37 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.93 1.17 0.00 0.00 5 P 0.00 4.29 0.00 2.09 1.93 0.00 3.86 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 6 D 8.47 4.92 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 4.56 0.00 2.44 2.26 0.00 3.87 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 2.04 2.02 0.00 8 Y 8.75 4.57 0.00 3.17 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 9 V 7.35 4.37 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 0.77 0.00 0.00 0.83 0.00 0.00 10 W 8.03 2.54 0.00 2.73 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 11 D 6.46 4.45 0.00 2.65 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 0.00 0.00 0.00 0.00 12 P 0.00 3.77 0.00 2.03 2.08 0.00 3.37 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 13 S 7.74 4.09 0.00 3.70 3.75 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 14 F 7.25 4.39 0.00 2.34 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 15 R 7.54 4.26 0.00 1.76 1.46 0.00 2.72 0.00 0.00 2.69 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.46 0.00 16 T 9.14 4.12 4.72 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 1.72 0.00 0.00 17 F 7.82 3.77 0.00 2.92 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 18 Y 7.54 4.65 0.00 3.07 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 19 S 8.81 4.15 0.00 3.89 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 20 I 7.79 3.74 1.88 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 1.65 0.82 0.94 0.00 0.00 21 I 7.78 3.72 2.23 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 1.68 0.96 1.10 0.00 0.00 22 D 8.49 4.44 0.00 2.59 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 0.00 0.00 0.00 0.00 23 D 7.79 4.06 0.00 2.70 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 24 E 8.12 4.06 0.00 2.12 1.97 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 2.32 2.53 0.00 25 H 8.42 4.30 0.00 3.44 3.69 0.00 5.64 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 26 K 7.78 3.98 0.00 1.75 1.67 0.00 1.15 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.71 0.35 7.81 27 T 7.72 3.93 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 28 L 7.81 3.99 0.00 1.79 1.71 0.93 1.12 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 29 F 8.23 4.05 0.00 3.31 2.97 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 30 N 8.40 4.49 0.00 2.90 3.02 0.00 0.00 7.16 7.83 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 31 G 8.44 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 0.00 0.00 0.00 32 I 8.08 3.78 2.08 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 1.46 0.86 0.66 0.00 0.00 33 F 8.78 4.13 0.00 3.59 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 34 H 8.34 4.12 0.00 3.34 3.41 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.63 4.12 0.00 1.83 1.76 0.34 0.94 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 36 A 7.81 4.14 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 37 I 6.87 4.13 1.94 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.38 0.90 0.00 0.00 38 D 8.29 4.58 0.00 2.54 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 39 D 8.43 4.76 0.00 2.96 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 40 N 7.70 5.05 0.00 2.94 3.01 0.00 0.00 5.99 7.11 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 41 A 8.40 3.96 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 42 D 8.00 4.28 0.00 2.76 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 43 N 8.03 4.38 0.00 2.71 2.85 0.00 0.00 6.75 6.74 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 44 L 8.04 3.78 0.00 1.57 1.65 0.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.40 3.53 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 0.00 0.00 0.00 46 E 8.01 3.86 0.00 2.21 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 0.00 2.29 2.34 0.00 47 L 7.58 3.87 0.00 1.70 1.61 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.41 3.69 0.00 1.83 1.97 0.00 3.06 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 49 R 8.10 3.79 0.00 1.86 2.00 0.00 3.13 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 1.59 1.64 0.00 50 C 8.09 4.08 0.00 2.97 2.93 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 51 T 8.43 3.62 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 0.61 0.00 0.00 52 G 8.20 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 0.00 0.00 0.00 53 K 8.27 3.94 0.00 1.81 1.88 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 54 H 8.10 4.61 0.00 3.32 3.26 0.00 5.90 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 55 F 8.07 4.37 0.00 3.11 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 56 L 7.97 4.05 0.00 1.95 1.86 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.40 4.33 0.00 3.08 2.87 0.00 0.00 6.73 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 58 E 8.71 3.87 0.00 2.07 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 2.18 2.39 0.00 59 Q 8.59 4.21 0.00 2.52 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 60 V 8.15 3.63 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 0.98 0.00 0.00 1.00 0.00 0.00 61 L 7.89 3.88 0.00 1.67 1.57 0.77 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.23 4.16 0.00 2.49 2.48 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.14 0.00 63 Q 8.61 3.86 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.49 2.25 0.00 64 A 7.75 4.04 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 65 S 7.35 4.54 0.00 4.09 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 66 Q 8.16 3.21 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 67 Y 8.35 4.32 0.00 2.98 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 68 Q 8.56 3.61 0.00 1.61 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.31 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 69 F 5.52 4.83 0.00 2.89 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 70 Y 7.75 4.28 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 71 D 8.34 4.38 0.00 2.79 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 72 E 8.21 4.02 0.00 2.26 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 2.48 2.75 0.00 73 H 8.15 4.10 0.00 3.62 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.28 3.76 0.00 1.09 1.67 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.37 7.81 75 K 7.88 4.36 0.00 1.84 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.21 7.81 76 E 7.93 4.40 0.00 2.23 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 2.58 2.50 0.00 77 H 8.07 3.65 0.00 3.20 2.96 0.00 5.64 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 78 E 8.50 4.16 0.00 2.22 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 0.00 2.39 2.55 0.00 *79 T 7.93 3.99 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 80 F 7.98 4.26 0.00 1.51 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 81 I 8.07 3.56 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.00 0.93 0.00 0.00 82 H 8.47 4.08 0.00 3.41 3.52 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 83 A 7.89 3.92 1.41 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 84 L 7.59 3.89 0.00 1.53 1.48 0.07 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.14 4.58 0.00 2.61 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 86 N 7.64 5.04 0.00 2.61 2.63 0.00 0.00 6.89 7.75 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 87 W 8.33 4.43 0.00 3.40 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 88 K 7.34 4.14 0.00 1.77 1.61 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 0.96 7.81 89 G 5.40 3.69 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 0.00 0.00 0.00 90 D 6.27 4.55 0.00 2.46 2.37 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 0.00 91 V 7.95 4.07 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 92 K 8.15 4.11 0.00 1.86 2.07 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.55 7.81 93 W 8.57 4.18 0.00 3.66 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.03 1.81 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 95 K 8.21 3.51 0.00 1.83 1.64 0.00 1.52 0.00 0.00 1.40 0.00 0.00 2.53 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 1.09 7.81 96 S 7.95 4.17 0.00 3.95 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 97 W 8.08 3.55 0.00 2.15 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 98 L 7.88 3.77 0.00 1.65 1.51 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.46 3.80 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 1.18 0.00 0.00 1.32 0.00 0.00 100 N 8.10 4.40 0.00 2.67 2.72 0.00 0.00 6.75 7.43 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 0.00 101 H 7.88 3.54 0.00 1.40 2.70 0.00 5.78 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 0.00 102 I 7.57 3.71 1.93 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 1.57 0.81 1.03 0.00 0.00 103 K 7.31 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.30 7.81 104 T 7.43 4.33 4.20 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 0.00 0.00 0.00 1.41 0.00 0.00 105 I 7.01 3.93 1.44 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.50 0.00 0.00 106 D 8.00 4.00 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 107 F 8.23 4.33 0.00 3.01 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 0.00 108 K 7.61 4.16 0.00 2.09 2.11 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.74 1.56 7.81 109 Y 7.61 4.39 0.00 2.55 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 0.00 0.00 0.00 0.00 110 K 7.27 4.22 0.00 1.86 1.87 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.71 1.42 7.81 111 G 9.12 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 0.00 112 K 8.61 4.65 0.00 2.03 2.06 0.00 2.05 0.00 0.00 2.08 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.69 7.81 113 I 7.55 4.41 1.73 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.11 0.63 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.