NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3094 8.3349 116.7215 58.0612 64.2707 173.3459 -1 N 4.4148 8.4270 119.9210 51.9677 39.1910 173.6045 0 A 3.9177 8.5998 123.3711 54.4436 19.7050 177.6528 1 G 3.6055 8.8203 110.1286 45.8624 0.0000 173.7686 1 K 3.9655 8.7803 121.7286 56.9624 29.9528 175.4686 4 A 4.1786 8.8515 129.9476 52.1364 18.9316 176.9645 5 A 3.9797 8.5932 124.8743 52.4662 18.8274 177.0776 6 D 4.5747 8.7613 121.9083 53.7733 42.3415 175.0206 7 F 4.8964 7.5908 117.8586 56.2321 40.5871 172.8282 8 T 4.8031 8.2663 111.7168 60.8656 71.1363 172.8624 9 Y 5.1473 8.1141 119.0981 56.1162 41.8980 173.6939 10 V 5.1623 8.8274 119.6469 60.2864 34.8720 174.9816 11 T 5.5461 8.4856 112.3741 59.3262 71.2751 175.7171 12 V 3.6332 8.6675 121.0690 66.1954 31.8068 176.0984 13 H 4.5953 8.1755 115.0129 55.6007 28.2862 176.5599 14 G 3.9224 8.5043 107.4268 45.7707 0.0000 173.5125 15 D 4.6384 7.7209 120.3714 52.8814 40.6764 175.1033 16 N 5.1529 8.6467 121.0724 52.1722 40.1920 174.2054 17 S 4.2993 7.9404 116.6655 57.0114 66.7015 173.0541 18 R 4.8126 8.4116 124.7076 55.2491 28.9359 178.1421 *20 S 4.4070 8.5493 108.0151 57.9838 64.7363 175.1421 21 R 4.0418 7.6950 118.3455 57.1068 30.1056 176.4362 22 L 4.2909 7.6973 118.7997 53.4925 41.2846 176.3611 23 K 4.1953 8.4092 123.5642 56.1233 33.6813 176.1249 24 A 4.3350 7.7596 122.4578 51.4440 21.5863 175.9703 25 Q 4.0551 8.8982 121.3043 58.8957 29.8293 176.1783 26 Y 4.9361 8.4161 115.0594 56.7893 42.7789 175.2304 27 T 5.4956 8.3635 118.5794 60.9169 73.0138 172.1654 *29 L 4.1062 8.3105 120.2672 55.3613 43.5627 175.9823 30 F 4.4411 8.4643 125.7420 56.1952 41.4532 173.0762 31 F 5.0582 8.6084 126.0164 56.7858 39.9609 174.6971 32 Y 5.0345 8.5604 121.3460 55.4272 41.6351 173.6918 33 D 5.2038 8.7706 118.2580 51.6351 43.5313 174.1733 34 P 4.5596 0.0000 0.0000 64.9344 31.6327 176.1175 35 D 4.7352 8.6609 119.4606 51.4991 40.5451 173.7506 36 C 4.4764 7.7860 120.3538 56.9907 33.8580 173.1113 37 S 4.2332 8.7583 125.2521 61.5830 62.6949 176.0122 38 N 4.4781 8.2309 119.6814 56.1912 38.2300 177.0503 39 C 4.4879 8.0688 117.8034 63.0195 28.3730 175.8651 40 R 4.2476 7.9238 120.8215 58.7340 29.6285 179.2989 41 K 4.0384 8.3769 118.0496 59.3156 32.0581 179.1377 42 F 4.0693 8.3976 120.6926 61.4189 38.8877 176.7448 43 E 3.9460 8.7470 118.3661 59.4878 29.0507 179.4033 44 K 3.9136 8.1684 118.3321 59.5578 32.5621 178.5529 45 L 4.2341 8.1453 119.4039 57.6424 41.5797 178.9229 46 F 3.9271 8.5333 120.8817 61.5414 39.0780 177.0671 47 A 4.3523 7.8383 117.9019 53.9035 18.1529 177.6747 48 E 4.3100 7.6370 114.3910 56.1594 30.0315 176.5783 49 I 4.0129 7.2400 121.7317 59.5178 38.1012 174.4216 50 P 4.2021 0.0000 0.0000 65.1728 31.0667 178.2739 51 A 4.0135 7.9029 118.4188 55.4714 18.2214 179.3306 52 F 4.4508 7.8687 114.5252 60.6830 39.2585 177.7934 53 V 4.0275 7.8525 118.8614 64.8644 31.0863 178.7486 54 E 4.3138 8.4360 116.8930 56.5194 28.9370 179.0381 *56 V 4.6728 7.6102 119.3161 63.3697 33.3661 177.0410 57 E 4.0626 8.4821 117.8428 59.7732 29.2936 178.6568 58 N 4.4252 8.3500 115.1581 54.6079 38.8085 176.9301 59 G 4.0671 7.9070 106.2471 45.2193 0.0000 174.4462 60 T 4.1256 7.5723 119.5890 65.5800 70.0183 173.9663 61 L 5.1894 7.9471 123.4792 53.2911 44.8384 175.4161 62 R 4.6893 8.8474 126.3227 55.1041 31.9714 175.6045 63 V 3.8324 8.0848 123.9808 61.1215 33.3712 174.0353 64 L 4.7968 8.1676 130.0952 53.3228 43.7733 174.2791 65 A 5.0784 8.9585 129.8770 50.9487 20.6326 175.7429 66 I 5.0115 9.0551 124.0241 59.7334 40.8393 173.9860 67 Y 4.8096 9.0807 129.3989 55.7798 39.7287 174.0098 68 P 4.4639 0.0000 0.0000 62.6426 32.8251 175.1059 69 D 4.8193 6.0500 119.7289 53.4679 42.4723 175.3351 70 E 4.7578 8.5762 118.1615 57.6329 31.8569 177.1536 71 N 4.7943 8.4574 119.1780 52.4119 34.5938 175.6362 72 R 3.3093 7.4879 120.6152 59.0102 29.8040 178.9722 73 E 3.8751 7.9584 118.6424 59.2231 29.7301 178.5729 74 E 3.8551 8.0738 118.7542 58.9761 29.7211 178.0143 75 W 4.0340 8.0320 128.0935 60.6232 30.1176 177.5874 76 A 3.0057 8.1849 120.1910 55.2728 17.6198 179.4464 77 T 3.7895 7.4953 112.6782 66.7794 68.8252 176.2379 78 K 4.3987 7.7965 117.8212 57.5509 32.2078 178.8130 79 A 3.8188 7.2100 121.1052 54.9986 18.2399 179.4713 80 V 3.4891 6.9463 112.2482 64.7284 32.8252 176.2972 81 Y 4.2091 7.5759 118.5546 56.0458 36.8191 173.5057 *83 P 3.7231 0.0000 0.0000 61.5333 32.9943 176.9066 84 Q 4.1137 8.2868 121.6517 57.7162 29.0592 176.3352 85 G 4.1927 9.0094 110.5121 45.1192 0.0000 173.8409 86 W 4.5889 7.6754 118.7821 56.5512 29.9813 176.3606 87 I 4.2024 8.8321 125.5465 60.9750 38.3404 174.9573 88 V 5.0004 8.8128 126.8861 61.2743 33.8305 174.3884 89 G 4.8757 10.2437 115.0399 44.3413 0.0000 170.4737 90 W 4.8510 8.9742 131.2321 54.8320 33.1603 175.6183 91 N 5.2059 8.4086 127.1285 52.2175 36.4262 174.8221 92 K 2.0000 7.1176 122.2271 58.0932 32.0488 177.7450 93 A 3.7686 7.5360 121.1450 53.2547 18.6029 178.9348 94 G 3.6166 8.0240 103.3718 46.2310 0.0000 175.0677 95 D 4.6283 7.2985 122.7066 55.0990 39.3718 178.5991 96 I 3.5503 8.0012 121.9829 64.3235 37.0541 178.4685 97 R 3.7983 7.6306 118.3819 59.4480 30.1254 179.1090 98 T 3.8591 7.9371 108.7427 63.9653 68.8961 175.6560 99 R 4.3534 8.0683 118.7891 54.8967 30.9329 175.4626 100 Q 3.4105 7.7372 118.1169 57.0499 27.7654 174.3655 101 L 3.9663 8.0130 118.6954 57.0604 42.2640 177.9536 102 Y 4.3926 7.2951 113.6112 55.8435 41.0299 175.4551 103 D 4.5290 8.0432 123.1217 53.6516 39.4858 175.5305 104 I 4.1809 7.4745 126.4376 59.1702 35.9592 176.7682 105 R 3.5733 8.1862 123.1643 58.5916 30.4725 176.4527 106 A 4.3907 6.8903 117.8452 51.6045 22.4435 174.9911 107 T 4.7398 8.3563 109.9661 59.2398 70.6838 172.4486 108 P 5.1617 0.0000 0.0000 62.0943 32.8749 175.4208 109 T 4.7037 8.2217 117.0280 61.8804 72.1564 172.8496 110 I 5.0756 8.3367 125.4391 59.7335 40.8182 173.9532 111 Y 5.1378 8.7567 123.1726 56.1197 41.3400 174.6028 112 L 4.8280 8.9671 125.6157 53.5666 44.2740 175.1397 113 L 5.3794 9.2703 126.1253 53.2543 45.3929 176.6368 114 D 4.9388 8.5243 121.6279 52.4086 41.7834 177.1441 115 G 3.4691 8.4179 106.2940 48.8587 0.0000 174.5074 116 R 4.2681 8.6511 117.9317 55.5155 30.2571 177.0555 117 K 3.9998 7.9920 116.7503 57.2642 30.2088 175.4150 118 R 4.2496 7.5192 117.8669 55.7338 30.5905 175.6416 119 V 4.2339 8.4129 125.0726 63.3307 31.1617 175.0128 120 I 4.3113 8.8691 122.9768 61.4144 39.4427 176.1852 121 L 4.7152 7.7036 122.0933 52.4980 45.2815 175.2744 122 K 3.9968 8.6653 124.9543 54.8976 33.6121 175.7073 123 D 3.9743 6.4514 127.1037 55.4006 39.3458 171.0730 124 T 4.6335 7.8729 114.1848 60.9072 71.3043 174.2479 125 S 4.8170 7.7616 118.6866 59.0012 63.3193 175.8164 *127 E 4.3204 9.0746 128.6359 57.5778 30.9334 177.7569 128 Q 4.1017 8.0843 117.1022 58.7348 28.7004 178.6045 129 L 4.1071 8.3928 120.2779 57.9386 41.7506 179.3924 130 I 3.8879 8.0576 119.1071 64.6289 37.2364 177.6373 131 D 4.3464 8.2936 118.6226 57.7234 40.8286 177.8485 132 Y 3.9626 8.1191 118.6372 60.5574 38.9498 177.2319 133 L 4.1541 8.7314 118.2051 56.3869 42.0346 178.2863 134 A 4.3327 8.2958 120.6540 53.9420 19.1778 177.1645 135 T 3.9361 7.5480 111.0484 62.0745 68.7394 174.0092 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 S 8.33 4.31 0.00 3.82 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 -1 N 8.43 4.41 0.00 2.80 2.76 0.00 0.00 6.87 6.46 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 A 8.60 3.92 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 1 G 8.82 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.78 3.97 0.00 1.69 1.95 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.33 7.81 4 A 8.85 4.18 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 5 A 8.59 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.76 4.57 0.00 2.62 2.57 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 7 F 7.59 4.90 0.00 3.32 3.17 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 8 T 8.27 4.80 4.14 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 1.15 0.00 0.00 9 Y 8.11 5.15 0.00 3.30 3.26 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 10 V 8.83 5.16 2.22 0.00 0.00 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 1.21 0.00 0.00 11 T 8.49 5.55 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 1.67 0.00 0.00 12 V 8.67 3.63 1.90 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 0.55 0.00 0.00 0.48 0.00 0.00 13 H 8.18 4.60 0.00 3.43 3.35 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.50 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 15 D 7.72 4.64 0.00 2.97 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 16 N 8.65 5.15 0.00 2.54 2.66 0.00 0.00 6.85 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 17 S 7.94 4.30 0.00 3.65 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.81 0.00 1.79 1.54 0.00 3.24 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.48 0.00 *20 S 8.55 4.41 0.00 4.01 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 21 R 7.69 4.04 0.00 1.94 2.00 0.00 3.29 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 22 L 7.70 4.29 0.00 1.64 1.65 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.41 4.20 0.00 1.84 1.80 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.50 7.81 24 A 7.76 4.34 1.27 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 0.00 0.00 25 Q 8.90 4.06 0.00 2.05 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.34 1.96 0.00 26 Y 8.42 4.94 0.00 3.04 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 5.50 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 1.15 0.00 0.00 *29 L 8.31 4.11 0.00 1.32 0.75 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.46 4.44 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.61 5.06 0.00 2.88 2.80 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 0.00 0.00 0.00 32 Y 8.56 5.03 0.00 3.02 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 33 D 8.77 5.20 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.56 0.00 2.16 2.16 0.00 3.41 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 35 D 8.66 4.74 0.00 2.56 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 36 C 7.79 4.48 0.00 3.08 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 37 S 8.76 4.23 0.00 4.12 4.14 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 38 N 8.23 4.48 0.00 2.84 3.02 0.00 0.00 7.18 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 39 C 8.07 4.49 0.00 3.36 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 4.25 0.00 2.03 2.01 0.00 3.30 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.71 0.00 41 K 8.38 4.04 0.00 1.93 1.94 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.72 7.81 42 F 8.40 4.07 0.00 3.51 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 3.95 0.00 2.19 1.67 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 1.71 2.40 0.00 44 K 8.17 3.91 0.00 1.79 2.03 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 45 L 8.15 4.23 0.00 1.72 1.58 0.91 1.05 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 46 F 8.53 3.93 0.00 3.11 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 47 A 7.84 4.35 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.64 4.31 0.00 2.04 2.00 0.00 0.00 0.00 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 2.19 0.00 49 I 7.24 4.01 1.23 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 -0.11 0.00 0.00 50 P 0.00 4.20 0.00 2.10 2.05 0.00 3.46 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 51 A 7.90 4.01 1.27 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 0.00 0.00 52 F 7.87 4.45 0.00 2.60 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 0.00 0.00 0.00 0.00 53 V 7.85 4.03 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 0.88 0.00 0.00 1.01 0.00 0.00 54 E 8.44 4.31 0.00 2.19 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 2.34 0.00 *56 V 7.61 4.67 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 1.59 0.00 0.00 1.30 0.00 0.00 57 E 8.48 4.06 0.00 2.30 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 2.40 2.37 0.00 58 N 8.35 4.43 0.00 2.82 2.90 0.00 0.00 7.24 7.46 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 59 G 7.91 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 60 T 7.57 4.13 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 1.38 0.00 0.00 61 L 7.95 5.19 0.00 1.75 1.53 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.85 4.69 0.00 1.93 1.78 0.00 3.32 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 63 V 8.08 3.83 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 0.00 0.00 -0.64 0.00 0.00 -0.05 0.00 0.00 64 L 8.17 4.80 0.00 1.61 1.33 0.28 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.96 5.08 1.57 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 66 I 9.06 5.01 1.59 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 1.10 1.05 0.85 0.00 0.00 67 Y 9.08 4.81 0.00 2.54 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 68 P 0.00 4.46 0.00 1.94 1.89 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 69 D 6.05 4.82 0.00 2.32 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.76 0.00 1.97 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 2.36 0.00 71 N 8.46 4.79 0.00 3.01 2.78 0.00 0.00 6.61 7.22 0.00 0.00 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 7.49 3.31 0.00 0.67 0.66 0.00 2.93 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 73 E 7.96 3.88 0.00 2.01 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 2.33 0.00 74 E 8.07 3.86 0.00 2.03 1.86 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 2.32 2.38 0.00 75 W 8.03 4.03 0.00 2.82 3.13 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 76 A 8.18 3.01 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 77 T 7.50 3.79 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 1.22 0.00 0.00 78 K 7.80 4.40 0.00 1.76 1.85 0.00 1.57 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.55 7.81 79 A 7.21 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 6.95 3.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.74 0.00 0.00 81 Y 7.58 4.21 0.00 3.06 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 *83 P 0.00 3.72 0.00 0.49 1.01 0.00 2.57 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 84 Q 8.29 4.11 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.57 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 85 G 9.01 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 0.00 0.00 0.00 0.00 86 W 7.68 4.59 0.00 3.20 3.02 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 87 I 8.83 4.20 1.98 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 1.21 0.79 1.03 0.00 0.00 88 V 8.81 5.00 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 1.34 0.00 0.00 1.06 0.00 0.00 89 G 10.24 4.88 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 0.00 0.00 0.00 90 W 8.97 4.85 0.00 1.78 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 0.00 0.00 0.00 91 N 8.41 5.21 0.00 2.62 2.41 0.00 0.00 6.45 6.34 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 92 K 7.12 2.00 0.00 0.79 1.26 0.00 1.84 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.03 0.64 7.81 93 A 7.54 3.77 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 94 G 8.02 3.62 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 0.00 0.00 0.00 95 D 7.30 4.63 0.00 3.08 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 96 I 8.00 3.55 1.70 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.35 0.57 0.00 0.00 97 R 7.63 3.80 0.00 1.70 1.86 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 98 T 7.94 3.86 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 1.17 0.00 0.00 99 R 8.07 4.35 0.00 1.85 1.93 0.00 3.28 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 100 Q 7.74 3.41 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 101 L 8.01 3.97 0.00 1.64 1.50 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.30 4.39 0.00 2.14 2.32 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 0.00 103 D 8.04 4.53 0.00 2.67 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 0.00 104 I 7.47 4.18 1.66 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.24 0.88 0.00 0.00 105 R 8.19 3.57 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 106 A 6.89 4.39 1.16 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 0.00 0.00 107 T 8.36 4.74 4.28 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 1.21 0.00 0.00 108 P 0.00 5.16 0.00 1.53 1.53 0.00 3.35 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 109 T 8.22 4.70 4.42 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 0.00 0.00 0.00 1.48 0.00 0.00 110 I 8.34 5.08 1.83 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.93 0.00 0.00 111 Y 8.76 5.14 0.00 2.80 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 0.00 112 L 8.97 4.83 0.00 1.71 1.45 0.98 0.28 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 0.00 113 L 9.27 5.38 0.00 1.60 1.65 0.98 0.98 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 0.00 114 D 8.52 4.94 0.00 2.80 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 0.00 115 G 8.42 3.47 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 0.00 116 R 8.65 4.27 0.00 1.84 1.94 0.00 3.23 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 117 K 7.99 4.00 0.00 1.99 1.93 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.49 7.81 118 R 7.52 4.25 0.00 1.85 2.17 0.00 3.12 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 119 V 8.41 4.23 2.34 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 1.06 0.00 0.00 1.14 0.00 0.00 120 I 8.87 4.31 1.75 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 1.32 0.61 0.95 0.00 0.00 121 L 7.70 4.72 0.00 1.49 1.48 0.87 0.75 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 0.00 122 K 8.67 4.00 0.00 1.72 1.61 0.00 2.23 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.02 7.81 123 D 6.45 3.97 0.00 2.48 2.43 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 0.00 124 T 7.87 4.63 4.17 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 1.24 0.00 0.00 125 S 7.76 4.82 0.00 3.95 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 *127 E 9.07 4.32 0.00 2.16 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 0.00 2.33 2.43 0.00 128 Q 8.08 4.10 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 129 L 8.39 4.11 0.00 1.97 2.00 1.24 1.03 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 0.00 130 I 8.06 3.89 2.02 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.57 0.81 0.00 0.00 131 D 8.29 4.35 0.00 2.82 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 0.00 132 Y 8.12 3.96 0.00 3.10 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 0.00 133 L 8.73 4.15 0.00 1.92 1.73 0.63 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.30 4.33 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 0.00 135 T 7.55 3.94 4.17 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.