NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7852 8.3549 109.7349 45.2368 0.0000 173.6558 *2 E 3.9791 8.1255 117.9971 55.3442 31.3545 175.8238 3 V 3.8008 8.3092 122.9904 62.1871 31.7710 175.5882 4 I 4.2169 8.2015 129.1614 59.8142 36.9522 174.1606 5 E 4.7590 8.2758 124.8126 54.3416 32.6180 176.2280 6 S 4.7526 8.3372 114.5640 56.7894 64.5379 173.0576 7 K 4.6247 9.2831 126.0797 53.9253 35.1289 174.2503 8 W 5.1015 8.5550 135.0000 55.9788 33.8703 174.5747 9 Y 4.3191 8.0380 126.0393 56.3956 37.3577 174.0619 10 K 4.1356 8.2793 124.8713 55.8257 33.4561 176.7101 11 K 4.5084 8.4430 125.4033 54.7839 34.6641 175.7565 12 D 4.5870 8.5382 120.9337 54.5351 41.8932 176.8006 13 G 4.3193 8.6608 107.5396 45.3621 0.0000 173.1603 14 A 4.4537 8.6518 124.1839 51.3977 19.1650 178.2565 15 S 4.3106 8.6291 116.1912 57.6763 64.5333 175.0743 16 S 4.0446 8.8864 115.7625 61.8514 61.8605 176.4687 17 A 4.0269 7.9793 122.9151 55.1689 17.6449 179.5842 18 S 4.0734 7.9701 112.7804 61.5966 63.0488 176.9408 19 I 3.7393 7.6516 122.9229 64.2404 36.8785 178.0747 20 D 4.3681 8.1861 119.7274 57.3363 40.6060 178.5756 21 D 4.3353 8.3322 119.6320 57.5465 40.8048 179.1507 22 V 3.6118 7.4849 117.7868 65.9584 31.6278 177.9179 23 E 4.0756 8.2885 119.8452 58.5510 29.0049 179.2563 24 K 3.9471 7.9863 119.1280 59.5239 32.3744 178.6718 25 L 4.1418 7.7844 118.1824 57.7020 41.6160 179.1613 26 L 3.9793 8.2881 118.8940 55.0236 41.4462 176.8020 27 N 4.2627 7.7139 115.5481 53.9521 37.6300 172.7870 28 T 4.3773 6.8839 110.3210 61.1169 70.9717 171.8810 29 T 4.4384 8.0994 113.2945 60.7830 69.8513 174.5155 30 L 4.3639 8.8163 123.7689 53.4330 42.8239 176.0076 31 P 4.3525 0.0000 0.0000 62.7189 33.0196 177.5897 32 K 3.9120 8.6735 122.5713 59.9877 32.2633 179.2458 33 Q 4.0425 8.0501 117.7171 58.7542 28.6801 177.7791 34 Y 3.1437 7.8210 120.3112 60.2145 38.8254 177.7060 35 K 3.5977 8.0185 120.5254 59.5710 31.8216 178.8732 36 S 4.0734 8.1340 115.4306 61.4427 62.7362 176.5009 37 F 4.1169 8.1061 123.2558 61.3350 39.1223 177.1189 38 L 4.4889 7.8063 120.0058 57.3495 41.3536 179.5672 39 L 4.0335 8.1412 118.8427 56.9849 41.1939 179.4042 40 W 4.4097 7.3991 126.5876 58.4416 31.1623 176.3275 41 S 4.6662 8.0611 115.9389 55.3406 63.7072 172.7298 42 N 4.8753 8.6750 129.7967 51.5108 37.2701 175.6839 43 G 4.1057 7.6946 108.4072 44.0300 0.0000 167.5251 44 G 3.8511 7.8866 105.2645 44.3712 0.0000 172.0320 45 E 4.5645 7.0646 114.4506 55.4534 33.5333 174.6157 46 G 4.0651 7.9917 106.3465 46.0237 0.0000 171.8469 47 K 4.8273 8.6153 121.0067 54.6629 34.7263 175.4701 48 L 4.6631 8.8806 129.6374 52.3094 43.0929 177.4792 49 G 3.5507 8.1689 115.8388 47.2262 0.0000 173.8699 50 D 4.4000 8.6230 124.0237 54.2097 41.0609 175.3015 51 N 4.7500 7.9251 119.0683 51.6667 39.4061 173.5670 52 Y 4.7515 8.4693 121.9443 57.6819 39.0171 175.2597 53 I 4.8363 8.7407 124.5443 59.7229 41.5619 173.8800 54 Y 5.0658 8.9748 123.7104 56.4503 40.9868 174.3726 55 I 4.8100 9.2248 126.0640 59.3775 39.9303 175.4433 56 W 5.3416 8.7949 126.3146 55.8470 30.2961 176.5368 57 A 4.6119 9.0811 125.7934 52.2541 18.7061 178.7183 58 I 3.9379 9.2681 121.4944 64.2414 37.8084 178.3921 59 E 4.1447 8.3811 117.8462 58.3690 29.5599 177.5576 60 D 4.7742 8.2592 117.7955 54.3579 41.9012 178.4590 61 V 4.1115 7.8396 119.9250 66.2886 31.5663 177.9094 62 I 4.1378 8.0104 118.7308 64.5060 37.0760 178.1164 63 A 3.9713 7.9946 121.0703 55.3693 18.2145 179.1071 64 Y 3.7916 7.9645 115.3384 61.2330 37.8479 178.5709 65 N 4.5208 8.7076 117.6024 56.6498 38.5262 176.9735 66 H 4.1331 8.5492 119.7255 59.2428 29.7510 176.8329 67 D 4.1654 7.8670 118.8215 57.3574 41.1589 177.2099 68 Y 4.5698 8.0638 114.6665 57.6933 38.4951 175.7489 69 G 4.0127 7.9772 108.4090 46.5841 0.0000 176.5361 70 I 3.6899 7.8707 121.9547 64.3139 37.2909 179.0873 71 Q 3.8555 7.7141 117.2669 58.4686 28.9430 177.4538 72 K 3.8471 8.0415 118.1251 59.3334 32.1827 177.0075 73 Y 4.4615 7.6362 114.2063 58.9436 39.7634 176.0879 74 L 4.5651 7.5149 115.5323 54.1440 40.5256 179.2475 75 Q 4.6478 8.6821 130.3060 55.2023 31.4050 175.1391 76 K 4.2096 8.6024 116.3218 59.5224 32.8139 178.0237 77 E 4.1418 8.2056 118.7615 58.2062 29.8107 175.3081 78 Y 5.1434 7.7064 117.1424 56.4202 39.4162 175.3967 79 W 5.0061 9.4272 123.5133 54.5861 33.1381 174.6638 80 A 4.8012 9.6017 128.0697 52.0098 18.4476 177.2037 81 F 5.0176 8.4453 115.0567 55.8765 39.7383 175.2245 82 G 3.0694 5.7573 106.9699 45.7687 0.0000 171.5015 *84 D 4.8620 7.9599 116.8537 54.9003 42.1851 178.1612 85 G 3.8630 8.1935 118.0676 46.2329 0.0000 174.5587 86 D 4.3918 8.8809 127.4962 56.3123 40.8970 175.4749 87 I 4.4411 7.5094 120.4932 60.2286 38.1019 175.7487 88 G 3.8361 8.7858 114.4686 44.6785 0.0000 171.8144 89 Y 4.7590 8.0833 121.3691 56.0116 39.8680 174.9491 90 I 5.2150 8.7659 125.0029 59.3088 41.3437 174.5069 91 L 5.5604 9.4287 125.0291 54.3840 44.2865 174.4756 92 H 4.9836 9.2156 120.8136 54.8857 30.7184 176.0019 93 L 4.0402 8.7812 126.7345 57.7126 41.6299 178.7005 94 S 4.3513 8.2924 112.7110 60.2796 62.7391 174.2965 95 D 4.6989 8.2066 115.3661 52.6381 39.8874 176.7321 96 N 4.6123 8.5437 117.5425 53.3248 37.5186 174.2938 97 S 4.7824 8.3421 113.8199 58.6808 64.5214 173.2982 98 I 5.1061 8.4095 122.0551 59.9223 40.1654 174.3129 99 Y 5.1978 9.2489 122.8941 56.4381 42.7580 174.2451 100 R 4.8119 8.8510 120.4195 54.7862 32.8727 175.9223 101 V 4.6056 8.2366 114.8232 59.5465 36.8620 174.1998 102 D 4.9617 8.3627 122.4183 53.1590 41.3515 177.1803 103 L 3.8185 8.9212 128.1157 57.0901 41.7168 178.5124 104 G 3.8717 8.3559 106.0693 45.7550 0.0000 173.8922 105 D 4.5591 7.7361 118.7987 52.9411 41.7875 174.8317 106 L 4.0448 7.2077 120.3590 54.4547 42.9941 177.0115 107 D 4.4325 8.2218 121.2432 53.0793 44.2778 175.5624 108 I 3.3976 8.5554 127.5671 64.1958 38.0493 177.2577 109 T 4.1049 8.2843 109.0097 62.8472 68.8982 175.0384 110 S 4.6242 7.7410 115.7194 57.5529 64.0445 174.3272 111 I 3.6877 7.0389 115.2562 61.2740 38.0033 175.4631 112 K 4.5348 8.9049 127.4782 54.6267 33.6696 174.6536 113 Y 4.3410 8.9687 130.1220 57.9563 38.6316 175.4260 114 I 4.2603 7.6763 118.7743 60.9548 39.9515 175.3404 115 A 4.2921 6.1556 121.4080 50.3113 21.7167 175.5638 116 P 4.4632 0.0000 0.0000 64.5768 32.2613 176.3808 117 S 5.0175 7.2843 114.4009 57.1008 66.6347 175.3025 118 F 3.8305 8.5851 123.1040 61.6431 39.1809 176.7005 119 D 4.3437 8.9321 118.8980 57.1142 40.5024 178.2438 120 D 4.2702 7.7819 117.7900 57.1820 41.2497 177.7756 121 F 4.1010 8.1017 121.1367 61.6030 39.0359 177.0941 122 L 3.3735 7.3733 116.8564 57.4388 41.4828 179.6314 123 G 3.6422 7.9820 105.5502 47.6878 0.0000 175.7965 124 K 3.5403 8.3422 121.4818 59.1816 30.5732 179.0290 125 A 3.2656 7.7659 120.9596 54.9177 17.8730 179.6870 126 I 3.9278 7.3253 110.8535 63.1399 37.8145 176.3107 127 Y 4.7150 7.1857 114.7340 55.8684 39.1094 175.1349 128 L 4.3294 7.3830 120.7305 52.7193 44.6141 175.4901 129 N 4.4431 8.3650 122.4033 52.4624 38.7210 175.4778 130 F 4.5970 8.8656 125.9803 59.8106 39.1514 176.4642 131 N 4.5058 8.7088 117.3789 53.2496 38.8335 175.3367 132 K 4.2799 8.0224 123.0079 56.8736 32.6957 175.3722 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 8.35 3.79 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 0.00 0.00 0.00 *2 E 8.13 3.98 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 2.20 2.45 0.00 3 V 8.31 3.80 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 0.79 0.00 0.00 0.92 0.00 0.00 4 I 8.20 4.22 1.84 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 1.54 1.00 0.87 0.00 0.00 5 E 8.28 4.76 0.00 1.88 1.84 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 2.18 2.27 0.00 6 S 8.34 4.75 0.00 3.67 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 7 K 9.28 4.62 0.00 1.69 1.50 0.00 1.49 0.00 0.00 1.24 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.47 1.02 7.81 8 W 8.56 5.10 0.00 3.56 3.16 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 9 Y 8.04 4.32 0.00 2.88 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 10 K 8.28 4.14 0.00 1.65 1.55 0.00 1.11 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.80 0.21 7.81 11 K 8.44 4.51 0.00 1.79 1.71 0.00 2.00 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 D 8.54 4.59 0.00 2.57 2.55 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 0.00 0.00 0.00 0.00 13 G 8.66 4.32 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 0.00 14 A 8.65 4.45 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 15 S 8.63 4.31 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.04 0.00 3.90 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 17 A 7.98 4.03 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 18 S 7.97 4.07 0.00 4.19 4.15 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 19 I 7.65 3.74 1.85 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 1.69 0.93 0.87 0.00 0.00 20 D 8.19 4.37 0.00 2.82 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 21 D 8.33 4.34 0.00 2.85 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 22 V 7.48 3.61 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 1.06 0.00 0.00 1.00 0.00 0.00 23 E 8.29 4.08 0.00 2.03 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 2.38 2.29 0.00 24 K 7.99 3.95 0.00 1.81 1.98 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 25 L 7.78 4.14 0.00 1.76 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.29 3.98 0.00 1.50 1.48 0.46 -0.52 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 27 N 7.71 4.26 0.00 2.84 2.85 0.00 0.00 6.92 6.98 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 28 T 6.88 4.38 4.21 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 0.00 0.00 0.00 1.13 0.00 0.00 29 T 8.10 4.44 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 30 L 8.82 4.36 0.00 1.64 1.78 0.90 1.07 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 31 P 0.00 4.35 0.00 2.22 2.23 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 32 K 8.67 3.91 0.00 1.92 1.82 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.11 7.81 33 Q 8.05 4.04 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 34 Y 7.82 3.14 0.00 2.66 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 35 K 8.02 3.60 0.00 1.78 1.88 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 36 S 8.13 4.07 0.00 4.06 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 37 F 8.11 4.12 0.00 2.99 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 38 L 7.81 4.49 0.00 1.66 1.60 0.20 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.14 4.03 0.00 1.84 1.72 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 W 7.40 4.41 0.00 3.14 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 41 S 8.06 4.67 0.00 2.90 3.30 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 42 N 8.68 4.88 0.00 2.72 2.86 0.00 0.00 7.45 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 43 G 7.69 4.11 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 0.00 0.00 0.00 44 G 7.89 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 45 E 7.06 4.56 0.00 1.91 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 2.07 2.44 0.00 46 G 7.99 4.07 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 0.00 0.00 0.00 47 K 8.62 4.83 0.00 1.74 1.59 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.16 0.36 7.81 48 L 8.88 4.66 0.00 1.44 1.42 0.65 1.19 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 49 G 8.17 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.62 4.40 0.00 2.55 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 N 7.93 4.75 0.00 2.72 2.81 0.00 0.00 6.98 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 52 Y 8.47 4.75 0.00 3.01 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 I 8.74 4.84 2.09 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 1.24 0.96 1.06 0.00 0.00 54 Y 8.97 5.07 0.00 3.00 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 55 I 9.22 4.81 2.59 0.00 0.00 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 1.67 1.64 1.51 0.00 0.00 56 W 8.79 5.34 0.00 3.69 3.32 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 57 A 9.08 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.27 3.94 1.92 0.00 0.00 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 1.54 1.27 1.01 0.00 0.00 59 E 8.38 4.14 0.00 2.03 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 2.35 2.50 0.00 60 D 8.26 4.77 0.00 3.09 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 61 V 7.84 4.11 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 1.62 0.00 0.00 1.56 0.00 0.00 62 I 8.01 4.14 1.99 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 1.73 0.54 1.07 0.00 0.00 63 A 7.99 3.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 3.79 0.00 2.47 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 0.00 0.00 0.00 0.00 65 N 8.71 4.52 0.00 3.21 2.85 0.00 0.00 6.69 8.37 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 66 H 8.55 4.13 0.00 3.29 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.87 4.17 0.00 2.55 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 68 Y 8.06 4.57 0.00 3.17 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 69 G 7.98 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.87 3.69 1.78 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 1.11 0.87 0.00 0.00 71 Q 7.71 3.86 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.03 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 72 K 8.04 3.85 0.00 1.51 1.78 0.00 1.34 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.96 7.81 73 Y 7.64 4.46 0.00 3.04 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 74 L 7.51 4.57 0.00 1.69 0.40 0.69 0.49 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 75 Q 8.68 4.65 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.74 0.00 76 K 8.60 4.21 0.00 2.06 2.08 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.55 7.81 77 E 8.21 4.14 0.00 1.65 1.37 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 2.27 2.32 0.00 78 Y 7.71 5.14 0.00 2.92 2.84 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 79 W 9.43 5.01 0.00 3.38 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 80 A 9.60 4.80 1.47 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 0.00 0.00 81 F 8.45 5.02 0.00 3.24 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 82 G 5.76 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 0.00 0.00 0.00 *84 D 7.96 4.86 0.00 3.34 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 85 G 8.19 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 86 D 8.88 4.39 0.00 2.68 2.68 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 0.00 0.00 0.00 87 I 7.51 4.44 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.35 0.00 0.00 88 G 8.79 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 0.00 0.00 0.00 89 Y 8.08 4.76 0.00 2.04 1.54 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 90 I 8.77 5.21 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 1.11 0.00 0.00 91 L 9.43 5.56 0.00 1.74 1.79 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.22 4.98 0.00 3.38 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.78 4.04 0.00 1.52 1.69 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.29 4.35 0.00 3.85 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 95 D 8.21 4.70 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 96 N 8.54 4.61 0.00 3.17 3.09 0.00 0.00 6.70 7.45 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 97 S 8.34 4.78 0.00 3.98 4.13 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 0.00 0.00 0.00 98 I 8.41 5.11 1.52 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.91 0.41 0.00 0.00 99 Y 9.25 5.20 0.00 2.84 2.84 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 0.00 100 R 8.85 4.81 0.00 1.59 1.57 0.00 3.12 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.35 0.00 101 V 8.24 4.61 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 0.53 0.00 0.00 0.81 0.00 0.00 102 D 8.36 4.96 0.00 2.64 2.46 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 0.00 103 L 8.92 3.82 0.00 1.58 1.57 0.43 0.43 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 0.00 104 G 8.36 3.87 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 0.00 0.00 0.00 105 D 7.74 4.56 0.00 2.48 2.44 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 0.00 106 L 7.21 4.04 0.00 1.30 1.51 0.96 0.94 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 0.00 107 D 8.22 4.43 0.00 2.55 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 0.00 108 I 8.56 3.40 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.87 0.00 0.00 109 T 8.28 4.10 4.21 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 0.00 0.00 0.00 1.22 0.00 0.00 110 S 7.74 4.62 0.00 3.91 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 0.00 111 I 7.04 3.69 1.61 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.39 0.62 0.00 0.00 112 K 8.90 4.53 0.00 1.94 1.83 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.23 7.81 113 Y 8.97 4.34 0.00 3.02 2.86 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 0.00 114 I 7.68 4.26 1.44 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.42 0.76 0.00 0.00 115 A 6.16 4.29 1.19 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 0.00 0.00 0.00 116 P 0.00 4.46 0.00 2.25 2.32 0.00 4.06 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 2.00 0.00 117 S 7.28 5.02 0.00 4.13 4.01 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 0.00 0.00 0.00 118 F 8.59 3.83 0.00 3.08 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 0.00 119 D 8.93 4.34 0.00 2.84 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 0.00 120 D 7.78 4.27 0.00 2.74 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 0.00 121 F 8.10 4.10 0.00 2.78 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 0.00 122 L 7.37 3.37 0.00 1.53 1.37 0.72 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.98 3.64 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 0.00 0.00 0.00 124 K 8.34 3.54 0.00 1.97 1.77 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.67 7.81 125 A 7.77 3.27 0.99 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 0.00 126 I 7.33 3.93 1.84 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 1.95 0.83 0.83 0.00 0.00 127 Y 7.19 4.71 0.00 3.04 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 0.00 128 L 7.38 4.33 0.00 1.12 1.27 0.47 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.36 4.44 0.00 2.61 2.63 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 0.00 130 F 8.87 4.60 0.00 3.19 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 0.00 131 N 8.71 4.51 0.00 2.98 2.91 0.00 0.00 7.00 8.44 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 0.00 132 K 8.02 4.28 0.00 1.92 1.83 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.