NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4052 8.2493 123.5878 52.3836 19.8609 176.8285 3 T 4.0445 8.6783 113.8364 63.1287 69.5620 173.6987 4 L 4.6795 7.6138 125.1574 53.5223 41.4577 175.4288 5 H 5.1666 8.3201 115.7665 52.6596 31.9616 174.4638 6 S 4.6786 9.0149 117.2243 59.1289 63.4101 173.2062 7 F 5.0169 8.6743 117.2874 55.3571 42.0373 173.3493 8 V 4.2831 8.3746 119.3683 61.8119 31.3803 175.0000 9 L 4.2278 8.3734 131.3758 56.6119 43.1239 176.7398 10 V 4.2008 7.4139 119.2487 60.9825 33.9205 174.1683 11 D 5.0242 8.7544 128.1653 53.0613 41.6936 174.8013 12 N 4.7234 9.6149 124.3161 52.7568 39.3454 175.4109 13 G 3.5379 8.5253 103.8667 46.3645 0.0000 173.6539 14 G 4.0778 8.0460 114.9753 45.5922 0.0000 173.4143 15 T 4.1398 7.3530 124.9600 65.1426 67.8363 174.8532 16 G 4.0240 8.7017 116.5125 45.3144 0.0000 172.1255 17 N 4.6550 7.8835 115.5510 52.7300 39.9021 175.1082 18 V 4.0922 8.6012 121.2170 61.5488 33.8563 174.4019 19 T 4.7911 8.3531 125.0937 62.2038 70.1705 174.7338 20 V 4.6450 8.5925 125.5089 59.7101 34.2878 174.7277 21 V 5.0171 8.5298 124.1350 58.8344 34.2364 173.2005 22 P 4.1684 0.0000 0.0000 63.1534 30.9987 175.9374 23 V 4.2519 8.6611 123.7627 63.3799 33.3434 174.6600 24 S 4.4818 7.5399 112.9114 57.7041 66.2220 174.9299 25 N 5.1955 8.7234 117.5929 53.8302 38.9849 171.6931 26 A 4.4268 7.9760 122.8402 53.1090 17.9047 177.5931 27 N 4.4146 8.8326 115.7562 52.7370 37.0779 174.8395 28 G 3.8643 6.9049 111.8372 47.0053 0.0000 174.9653 29 V 4.2430 7.6585 111.4763 60.9518 33.6292 175.6420 30 A 4.7345 8.9427 126.5575 51.0278 21.6283 176.0936 31 E 5.0370 7.7329 119.1787 55.2313 33.3838 173.8564 32 W 5.3235 9.7426 127.6678 55.0416 32.2303 175.0325 33 L 5.4751 8.9980 123.0647 53.0289 45.7918 175.9194 34 S 4.8570 8.5416 116.4016 57.4531 64.5798 174.8339 35 N 4.6865 8.5551 120.8708 52.8337 36.7318 173.3302 36 N 5.0796 7.6355 118.2582 50.9996 43.6166 174.2990 37 S 4.3455 8.9469 114.1690 58.6619 63.8267 176.3370 38 R 3.4089 7.5383 121.9760 58.7062 31.9673 177.5050 39 S 4.0579 8.0674 112.7539 61.1235 62.3134 175.1289 40 Q 4.3017 8.4739 117.5516 55.7759 29.5203 175.1085 41 A 4.4384 7.4664 119.1638 52.6129 19.6949 176.6176 42 Y 4.5141 8.9255 118.3720 57.2916 39.7110 174.8658 43 R 5.2159 8.9593 123.6862 54.6600 33.9550 174.1477 44 V 5.2329 9.1364 124.1358 61.8815 35.4170 174.0743 45 T 5.9041 8.9534 121.7563 61.6664 73.7038 172.8970 46 A 4.9515 8.5016 121.8164 51.7605 22.5783 176.0523 47 S 5.0861 8.9318 119.1343 57.5426 66.4911 173.2664 48 Y 4.9077 8.1170 121.8551 57.2365 40.7109 173.2814 49 R 4.5354 8.7640 126.4783 54.5555 34.7573 173.0237 50 A 4.5722 8.2513 123.1805 50.5624 20.1085 176.8184 51 S 4.2454 8.9206 118.1875 57.0848 63.6920 174.3052 52 G 3.9169 8.5776 119.1160 45.6065 0.0000 171.8844 53 A 4.1307 8.7711 121.3189 54.8069 18.7612 178.2927 54 D 5.1368 8.0070 113.0844 52.5561 41.3286 175.3199 55 K 5.1045 7.9686 117.0661 56.1623 36.7044 174.9323 56 R 4.8983 9.5417 119.8851 54.2274 34.1194 174.4948 57 K 5.1514 9.1036 123.4828 54.9124 35.4972 174.1342 58 Y 5.2793 8.7592 123.4032 56.7049 41.1407 175.0316 59 T 5.0282 8.8180 119.9061 62.0680 71.4022 172.4874 60 I 5.4187 8.9956 127.7583 58.5201 40.1952 175.2242 61 K 4.9995 8.6610 124.1789 54.7250 36.4851 174.8423 62 L 5.1148 9.0070 123.8984 53.6506 46.3833 174.6438 63 E 4.9050 9.2340 124.3111 54.7405 32.8948 175.1169 64 V 4.3332 8.4936 126.5164 59.9651 32.8257 172.6847 65 P 4.7089 0.0000 0.0000 62.3636 32.3596 175.7956 66 K 4.3207 8.5757 123.9673 54.4626 33.9416 176.9521 67 I 3.4205 8.5256 122.2112 63.2710 37.5352 176.7572 68 V 3.5556 7.1296 114.9785 61.0299 29.7634 175.4128 *76 E 4.4436 8.5253 123.4897 55.5357 31.2615 177.1680 77 L 4.7804 7.8527 118.9289 52.4001 39.9955 173.8820 78 P 4.4864 0.0000 0.0000 65.4336 32.3948 178.3827 79 V 4.1815 7.5930 116.9640 61.0906 32.6546 176.0819 80 S 4.5634 7.7137 116.4559 57.8475 63.9284 172.6522 81 A 4.3533 7.8245 123.8124 51.0806 21.6730 177.1443 82 W 4.4107 8.4454 130.2694 56.9977 29.5716 173.8901 83 K 5.0480 8.1544 122.6578 53.8117 34.9178 174.7920 84 A 4.4832 8.3840 125.9335 50.5135 21.1442 175.2753 85 Y 5.2776 8.5463 119.8217 56.1919 40.3746 175.0875 86 A 4.9362 8.9940 125.9399 50.4311 22.7751 175.4252 87 S 4.9159 8.4933 114.2240 57.6736 65.1321 173.3140 88 I 4.6665 9.6937 129.7933 59.5990 39.9511 174.5624 89 D 5.3829 8.7918 125.2680 52.5620 44.0815 175.0719 90 L 4.6684 9.2231 126.6731 53.5979 44.2998 174.8983 91 T 4.9966 8.5196 123.4149 62.6415 69.6323 174.7003 92 I 4.8900 8.9078 127.2436 58.8848 41.5972 173.7515 93 P 4.9457 0.0000 0.0000 62.0729 32.9232 175.6304 94 I 4.0256 8.5518 122.0988 61.1270 37.2416 176.2136 95 F 5.0340 7.9729 120.5283 54.3573 40.9508 174.7149 96 A 4.1958 8.5322 124.0893 51.8749 19.0382 178.5905 97 A 4.0960 8.7237 123.5196 55.5955 18.5339 179.8073 98 T 4.0774 7.8789 104.2235 64.2230 69.2423 174.8447 99 D 4.4078 7.7442 121.8226 54.3345 41.3160 175.1280 100 D 4.7212 8.4347 121.7211 52.8827 42.3374 175.8349 101 V 4.1861 7.8807 124.9420 62.2899 32.4165 176.7044 102 T 4.0274 7.9063 110.0566 63.3849 68.4019 176.2114 103 V 3.6747 7.5672 122.3010 64.4942 31.5126 178.2939 104 I 3.6397 7.6274 120.9692 64.4006 36.9189 178.3588 105 S 4.0397 7.8866 115.2631 61.7534 62.9409 176.5360 106 K 3.8282 7.8733 120.9031 59.9144 31.7326 179.4962 107 S 4.1317 7.9461 114.6090 61.3236 62.6250 176.5653 108 L 4.0140 7.6458 120.6021 58.1639 41.7902 179.2540 109 T 4.1899 8.4243 113.5467 64.8730 67.3479 176.2355 110 G 3.7016 7.8338 107.5035 48.0377 0.0000 175.0269 111 L 3.7305 7.4378 121.8098 56.8229 41.9082 177.6855 112 F 4.9382 7.2490 113.3653 56.7666 39.5964 175.3501 113 K 4.1020 7.8184 124.0511 55.9096 32.4464 176.5358 114 V 3.6352 8.2557 126.4541 64.4434 31.9106 175.8354 115 G 4.0454 9.1599 114.6251 45.3915 0.0000 173.2153 116 N 4.9701 7.7063 117.3134 50.6631 41.9916 173.8863 117 P 4.2383 0.0000 0.0000 66.2305 31.5210 179.0029 118 I 4.0574 7.7943 117.5718 64.4090 36.5704 178.1770 119 A 4.1552 8.0286 121.1845 55.1523 18.1323 179.1366 120 E 4.1755 8.6215 117.9103 59.1405 29.6727 178.8403 121 A 4.0481 7.8355 121.1106 54.5270 18.3325 178.9229 122 I 4.0514 7.6363 109.1730 62.6937 38.0292 177.9550 123 S 4.4493 7.5852 118.8167 61.2817 62.9216 175.8911 124 S 4.3022 7.6788 113.5349 58.5080 63.1921 173.4440 125 Q 3.4266 7.7902 122.3599 57.8400 27.5694 172.1460 126 S 4.7296 8.0329 109.3078 56.2207 65.8365 172.2398 127 G 3.9911 8.1713 111.3067 43.8599 0.0000 172.4026 128 F 4.5469 8.6249 120.1276 56.0947 39.0412 174.6484 129 Y 4.9228 7.7550 122.3628 54.7659 41.2363 175.3046 130 A 4.1585 8.6742 121.8524 52.5146 18.8046 177.4992 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 A 8.25 4.41 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 3 T 8.68 4.04 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 1.25 0.00 0.00 4 L 7.61 4.68 0.00 1.68 1.67 0.77 0.19 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 5 H 8.32 5.17 0.00 3.30 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.01 4.68 0.00 4.09 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 7 F 8.67 5.02 0.00 2.91 2.90 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 8 V 8.37 4.28 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 0.72 0.00 0.00 0.89 0.00 0.00 9 L 8.37 4.23 0.00 1.09 1.29 0.99 0.95 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 10 V 7.41 4.20 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 0.92 0.00 0.00 0.51 0.00 0.00 11 D 8.75 5.02 0.00 2.60 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 12 N 9.61 4.72 0.00 2.76 2.76 0.00 0.00 7.05 7.77 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 13 G 8.53 3.54 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 0.00 0.00 0.00 14 G 8.05 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 15 T 7.35 4.14 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 1.20 0.00 0.00 16 G 8.70 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 0.00 0.00 0.00 17 N 7.88 4.66 0.00 2.55 2.69 0.00 0.00 6.83 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 18 V 8.60 4.09 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 0.41 0.00 0.00 0.52 0.00 0.00 19 T 8.35 4.79 4.18 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 0.00 0.00 1.18 0.00 0.00 20 V 8.59 4.65 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 -0.38 0.00 0.00 0.97 0.00 0.00 21 V 8.53 5.02 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 0.81 0.00 0.00 0.97 0.00 0.00 22 P 0.00 4.17 0.00 1.83 1.47 0.00 3.81 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 1.98 2.06 0.00 23 V 8.66 4.25 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 0.74 0.00 0.00 1.02 0.00 0.00 24 S 7.54 4.48 0.00 3.85 3.58 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 25 N 8.72 5.20 0.00 2.63 2.61 0.00 0.00 7.53 8.06 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 26 A 7.98 4.43 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 27 N 8.83 4.41 0.00 2.79 2.84 0.00 0.00 6.71 7.42 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 28 G 6.90 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 0.00 0.00 0.00 29 V 7.66 4.24 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 0.84 0.00 0.00 0.94 0.00 0.00 30 A 8.94 4.73 1.08 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 31 E 7.73 5.04 0.00 2.03 1.68 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 0.00 2.25 2.57 0.00 32 W 9.74 5.32 0.00 3.33 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 33 L 9.00 5.48 0.00 1.59 1.54 0.98 0.67 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 34 S 8.54 4.86 0.00 3.96 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 35 N 8.56 4.69 0.00 2.72 2.80 0.00 0.00 6.81 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 36 N 7.64 5.08 0.00 2.72 2.68 0.00 0.00 7.27 7.57 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 37 S 8.95 4.35 0.00 4.01 3.99 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 38 R 7.54 3.41 0.00 1.95 1.89 0.00 3.28 0.00 0.00 3.29 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 39 S 8.07 4.06 0.00 3.98 3.92 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 0.00 0.00 0.00 40 Q 8.47 4.30 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 41 A 7.47 4.44 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.93 4.51 0.00 2.89 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 43 R 8.96 5.22 0.00 1.91 1.81 0.00 3.59 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 44 V 9.14 5.23 2.42 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 1.15 0.00 0.00 1.01 0.00 0.00 45 T 8.95 5.90 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 1.31 0.00 0.00 46 A 8.50 4.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.93 5.09 0.00 3.88 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 48 Y 8.12 4.91 0.00 2.75 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 49 R 8.76 4.54 0.00 1.77 1.60 0.00 3.09 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 50 A 8.25 4.57 1.10 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 0.00 0.00 51 S 8.92 4.25 0.00 3.86 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 52 G 8.58 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.77 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 5.14 0.00 2.68 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 55 K 7.97 5.10 0.00 1.87 1.92 0.00 1.26 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.60 7.81 56 R 9.54 4.90 0.00 1.70 1.45 0.00 2.92 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 57 K 9.10 5.15 0.00 1.76 1.60 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 58 Y 8.76 5.28 0.00 3.04 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 59 T 8.82 5.03 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 1.28 0.00 0.00 60 I 9.00 5.42 1.92 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 1.27 2.02 1.02 0.00 0.00 61 K 8.66 5.00 0.00 1.75 1.73 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.47 7.81 62 L 9.01 5.11 0.00 1.77 1.46 1.09 0.79 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 63 E 9.23 4.90 0.00 1.98 1.76 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 2.63 2.41 0.00 64 V 8.49 4.33 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 65 P 0.00 4.71 0.00 1.86 1.83 0.00 2.68 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.55 0.00 66 K 8.58 4.32 0.00 1.34 0.74 0.00 0.67 0.00 0.00 1.32 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.50 0.94 7.81 67 I 8.53 3.42 1.78 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 1.31 0.39 0.85 0.00 0.00 68 V 7.13 3.56 1.68 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 0.36 0.00 0.00 -0.56 0.00 0.00 *76 E 8.53 4.44 0.00 1.98 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 2.23 2.38 0.00 77 L 7.85 4.78 0.00 1.99 1.66 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.49 0.00 2.19 2.21 0.00 3.58 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 1.96 2.07 0.00 79 V 7.59 4.18 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 0.79 0.00 0.00 0.95 0.00 0.00 80 S 7.71 4.56 0.00 3.93 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 81 A 7.82 4.35 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 82 W 8.45 4.41 0.00 3.37 2.92 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 0.00 0.00 0.00 83 K 8.15 5.05 0.00 0.96 0.77 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81 84 A 8.38 4.48 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 85 Y 8.55 5.28 0.00 2.86 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 86 A 8.99 4.94 1.20 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 0.00 0.00 0.00 87 S 8.49 4.92 0.00 3.89 3.77 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 88 I 9.69 4.67 1.92 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 1.27 0.47 0.97 0.00 0.00 89 D 8.79 5.38 0.00 2.56 2.62 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 0.00 0.00 0.00 0.00 90 L 9.22 4.67 0.00 1.80 1.70 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.52 5.00 4.30 0.00 0.00 0.00 0.00 0.00 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 92 I 8.91 4.89 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 1.12 0.00 0.00 93 P 0.00 4.95 0.00 2.15 2.13 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 94 I 8.55 4.03 1.86 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 1.21 0.61 0.85 0.00 0.00 95 F 7.97 5.03 0.00 3.23 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 96 A 8.53 4.20 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 97 A 8.72 4.10 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 98 T 7.88 4.08 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 D 7.74 4.41 0.00 3.08 2.62 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 0.00 0.00 0.00 0.00 100 D 8.43 4.72 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 4.19 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 0.58 0.00 0.00 0.22 0.00 0.00 102 T 7.91 4.03 4.19 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 1.23 0.00 0.00 103 V 7.57 3.67 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 0.75 0.00 0.00 0.89 0.00 0.00 104 I 7.63 3.64 1.89 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 1.49 0.88 0.88 0.00 0.00 105 S 7.89 4.04 0.00 3.94 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 0.00 106 K 7.87 3.83 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.69 7.81 107 S 7.95 4.13 0.00 4.14 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 0.00 108 L 7.65 4.01 0.00 1.84 1.81 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.42 4.19 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 1.25 0.00 0.00 110 G 7.83 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 0.00 111 L 7.44 3.73 0.00 1.57 1.30 0.66 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.25 4.94 0.00 3.11 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 0.00 113 K 7.82 4.10 0.00 1.99 1.77 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 114 V 8.26 3.64 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 0.85 0.00 0.00 0.97 0.00 0.00 115 G 9.16 4.05 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 0.00 0.00 0.00 116 N 7.71 4.97 0.00 3.07 2.70 0.00 0.00 6.93 7.91 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 0.00 117 P 0.00 4.24 0.00 2.19 2.22 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 118 I 7.79 4.06 2.03 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 0.99 0.00 0.00 119 A 8.03 4.16 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 0.00 0.00 0.00 0.00 0.00 120 E 8.62 4.18 0.00 2.26 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 2.31 2.33 0.00 121 A 7.84 4.05 1.10 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 0.00 0.00 122 I 7.64 4.05 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.77 1.14 0.00 0.00 123 S 7.59 4.45 0.00 4.26 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 0.00 124 S 7.68 4.30 0.00 4.10 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 0.00 125 Q 7.79 3.43 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 126 S 8.03 4.73 0.00 3.88 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 0.00 127 G 8.17 3.99 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 0.00 0.00 0.00 128 F 8.62 4.55 0.00 3.13 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 0.00 129 Y 7.75 4.92 0.00 3.05 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 0.00 130 A 8.67 4.16 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 * Residues marked with a * may have inaccurate shift predictions.