NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3538 0.0000 0.0000 62.5820 33.1346 176.1077 3 K 4.2637 8.9361 117.2472 59.6305 29.8648 176.4151 4 K 4.6740 6.5345 120.5650 51.6465 34.4391 174.5175 5 V 4.6981 8.3147 125.7794 61.3254 34.3030 174.9366 6 L 4.9535 7.7687 127.9026 55.6931 45.2405 175.0952 7 T 4.6531 7.5562 108.0982 63.0212 70.8788 172.6138 8 G 4.6043 7.6631 113.6639 45.9013 0.0000 170.4597 9 V 4.9214 8.2264 112.3558 59.7683 33.9171 175.7377 10 V 4.3195 9.0150 125.9946 62.7770 32.2206 176.3719 11 V 4.5950 8.1895 119.0948 60.8804 33.5225 175.6962 12 S 4.5817 7.7064 115.5467 57.2892 65.6761 174.2520 13 D 5.1424 8.6121 125.1203 53.1200 40.1190 176.9242 14 K 4.4463 7.7884 114.3527 57.8906 31.3124 176.0917 15 M 4.8269 7.9257 118.5559 53.4225 35.5037 174.8295 16 Q 4.3044 8.4642 118.5256 55.7444 29.6003 176.4896 17 K 4.7550 8.9559 119.7082 56.5159 30.1573 174.5356 18 T 5.2485 7.4176 114.2420 62.1479 72.1837 174.3160 19 V 4.6577 8.2879 116.6853 60.6282 36.6676 174.0864 20 T 4.5380 8.9708 123.3253 63.6813 69.9661 173.8191 21 V 4.8134 9.0554 124.4313 61.1415 35.3832 173.7299 22 L 4.7442 9.0125 130.5996 53.9990 43.5039 175.2050 23 V 4.5457 9.2469 127.7437 61.2903 33.7211 175.0802 24 E 4.9622 8.6615 128.1168 55.6430 31.4033 176.0567 25 R 4.3687 7.7378 110.9143 56.1597 32.9933 174.9557 26 Q 4.7791 9.2524 123.1311 53.4290 31.3075 174.7188 27 F 5.1823 7.8381 119.8937 56.2618 39.4431 171.6798 28 P 4.6884 0.0000 0.0000 62.7968 31.8081 175.9855 29 H 4.4897 9.6060 124.6668 55.4468 30.5229 174.2088 30 P 4.2384 0.0000 0.0000 65.6697 31.3023 177.2784 31 L 4.3306 7.6606 119.2148 54.7816 42.6804 176.1442 32 Y 4.8851 7.8925 113.8868 57.2477 39.4564 177.8950 33 G 4.0330 8.2183 107.0822 45.9221 0.0000 173.7019 34 K 4.0072 7.5965 120.9360 56.9591 33.7042 176.2281 35 V 4.5255 8.0578 123.0395 61.1195 29.9859 173.9180 36 I 3.9491 7.7651 117.4034 59.9469 39.4373 176.7749 37 K 4.3382 8.1526 124.4820 55.8339 33.0713 175.9317 38 R 5.0276 7.5207 122.8960 56.7836 34.0451 173.9541 39 S 5.0983 8.6307 121.4552 57.4299 65.3844 173.2635 40 K 4.6461 8.9135 120.9067 54.7993 35.9083 174.4977 41 K 5.0137 8.4380 125.9557 55.7193 34.1800 175.0005 42 Y 4.6981 9.2544 123.1626 56.1758 40.9004 175.1233 43 L 4.9440 8.6577 121.7795 53.6092 43.2788 175.9561 44 A 4.8009 8.6585 126.5348 51.0374 21.6413 174.9751 45 H 4.9182 8.5771 119.4425 54.9331 31.3972 174.2596 46 D 4.5960 9.0897 128.0983 51.8204 40.4146 174.7424 47 P 4.2890 0.0000 0.0000 65.0168 32.0703 179.0619 48 E 3.9127 8.1754 120.9371 56.7084 30.1359 177.0173 49 E 4.4586 7.9524 114.9808 57.0143 26.9906 174.6140 50 K 4.4399 8.0287 110.5424 56.5389 33.5398 175.8547 51 Y 4.4916 8.0047 116.9911 57.1022 40.3176 175.5573 52 K 4.4660 8.4318 124.6387 54.7116 35.1006 175.1987 53 L 4.1375 8.1694 121.0647 55.5841 42.4684 176.0808 54 G 4.2526 8.1552 116.4970 45.7806 0.0000 172.4892 55 D 5.2256 8.3028 118.4879 52.1176 44.7026 175.7579 56 V 4.6035 8.1113 120.2316 61.6358 33.1691 174.8699 57 V 4.6118 8.4096 121.2003 59.4761 35.6989 174.4297 58 E 4.8849 8.2146 120.8038 54.3592 31.0404 175.9111 59 I 4.6464 8.0242 125.6058 60.0469 39.6129 174.7737 60 I 4.9782 8.4364 124.6423 58.7360 41.7560 174.0867 61 E 4.6093 8.7950 129.0347 56.9260 29.9290 175.9955 62 S 4.7821 7.9433 122.1895 56.4414 67.6615 173.4695 63 R 3.9913 8.4356 120.8991 55.2327 30.3629 174.1233 64 P 4.1398 0.0000 0.0000 63.6021 31.6859 175.9122 65 I 4.2888 7.5342 122.2604 61.6020 39.1354 175.1119 66 S 4.4324 7.4156 112.1781 57.1792 64.8778 174.5820 67 K 3.9998 8.5920 121.8426 56.7184 33.2442 178.3466 68 R 3.5186 8.6825 120.9913 56.6957 29.2210 177.4954 69 K 4.7288 7.9540 128.3730 56.3801 32.2939 175.5211 70 R 4.5464 8.3743 129.3504 54.9021 31.5331 174.6539 71 F 5.1791 8.1933 115.1255 56.5022 44.2986 173.6472 72 R 4.9994 8.9578 118.6189 54.6848 34.9941 174.5831 73 V 3.9344 8.0768 119.7742 61.4249 31.5737 174.6491 74 L 4.0017 8.5131 131.4211 57.5284 41.3867 178.9471 75 R 4.6981 7.5182 112.5505 55.3037 32.8492 173.6266 76 L 4.6287 8.3652 118.9790 54.0318 43.8206 175.8385 77 V 4.1390 8.0494 122.5705 63.8646 32.8764 176.3549 78 E 4.6368 7.5413 114.0117 55.4713 31.8204 174.3717 79 S 4.5274 8.6304 118.0517 58.7200 63.6926 174.1660 80 G 4.1639 9.4941 114.6105 46.4457 0.0000 174.3186 81 R 4.7307 7.5093 126.2002 54.5061 31.7593 177.2334 82 M 4.2284 8.2051 119.7450 58.2688 32.1604 178.0820 83 D 4.3683 8.0635 119.1260 56.6432 39.1333 178.5412 84 L 3.9824 7.5722 119.4761 57.3246 41.5802 179.6365 85 V 3.8167 7.6251 118.0344 65.6422 31.3741 177.6504 86 E 3.9997 8.5096 119.4255 58.9525 29.4835 178.8522 87 K 3.8776 8.1037 117.7634 60.7304 32.3102 177.6416 88 Y 4.2719 8.2781 119.0246 59.7751 38.5063 178.4192 89 L 3.4042 8.3876 118.7937 57.9900 41.9829 179.1627 90 I 3.6308 8.5690 119.5406 64.5935 36.8535 178.2032 91 R 3.5717 7.7414 119.9775 59.5912 30.3491 178.3003 92 R 3.6419 7.4380 117.8588 59.4997 30.1138 177.8888 93 Q 3.8023 8.5019 120.1434 59.6776 28.9178 178.8425 94 N 4.3808 8.5817 116.9360 55.7821 38.6366 176.6464 95 Y 4.5221 8.2065 119.1324 61.5597 37.6967 178.6947 96 E 4.1634 7.8002 117.9407 58.6481 29.4701 177.6682 97 S 4.7362 8.2205 112.7813 58.2222 63.1367 174.1346 98 L 4.8656 7.8714 118.9682 55.0852 42.8692 176.7597 99 S 4.9501 7.6877 115.5309 58.5724 65.6026 173.4442 100 K 4.2670 8.2263 114.0610 56.5854 33.7457 176.0328 *101 R 4.1415 7.9863 121.6228 56.5343 30.0213 177.3860 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 P 0.00 4.35 0.00 2.19 2.17 0.00 3.73 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 1.89 1.99 0.00 3 K 8.94 4.26 0.00 1.76 2.03 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 4 K 6.53 4.67 0.00 1.94 1.79 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.50 7.81 5 V 8.31 4.70 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 0.82 0.00 0.00 1.02 0.00 0.00 6 L 7.77 4.95 0.00 1.25 1.27 -0.39 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.56 4.65 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 1.20 0.00 0.00 8 G 7.66 4.60 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 0.00 0.00 0.00 9 V 8.23 4.92 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 0.70 0.00 0.00 0.88 0.00 0.00 10 V 9.02 4.32 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 1.02 0.00 0.00 0.97 0.00 0.00 11 V 8.19 4.59 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 0.68 0.00 0.00 0.75 0.00 0.00 12 S 7.71 4.58 0.00 3.94 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 13 D 8.61 5.14 0.00 2.84 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 14 K 7.79 4.45 0.00 1.94 1.90 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.45 7.81 15 M 7.93 4.83 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 16 Q 8.46 4.30 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.25 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 17 K 8.96 4.75 0.00 2.04 1.96 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.43 7.81 18 T 7.42 5.25 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 1.30 0.00 0.00 19 V 8.29 4.66 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 0.71 0.00 0.00 0.91 0.00 0.00 20 T 8.97 4.54 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 1.18 0.00 0.00 21 V 9.06 4.81 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 0.89 0.00 0.00 0.88 0.00 0.00 22 L 9.01 4.74 0.00 1.51 1.41 0.64 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.25 4.55 2.35 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 1.01 0.00 0.00 0.80 0.00 0.00 24 E 8.66 4.96 0.00 1.90 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 0.00 2.30 2.30 0.00 25 R 7.74 4.37 0.00 1.96 2.04 0.00 2.99 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 26 Q 9.25 4.78 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 27 F 7.84 5.18 0.00 3.13 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 28 P 0.00 4.69 0.00 2.06 2.10 0.00 3.86 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 2.10 2.15 0.00 29 H 9.61 4.49 0.00 3.17 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.24 0.00 2.13 2.09 0.00 3.13 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 31 L 7.66 4.33 0.00 1.46 1.32 0.97 0.70 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 32 Y 7.89 4.89 0.00 2.60 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 33 G 8.22 4.03 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 0.00 0.00 0.00 34 K 7.60 4.01 0.00 1.87 1.75 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.39 7.81 35 V 8.06 4.53 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 0.87 0.00 0.00 0.92 0.00 0.00 36 I 7.77 3.95 1.62 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 0.90 -0.36 0.87 0.00 0.00 37 K 8.15 4.34 0.00 1.60 1.79 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 38 R 7.52 5.03 0.00 2.17 2.07 0.00 3.44 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 39 S 8.63 5.10 0.00 3.91 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 40 K 8.91 4.65 0.00 1.76 1.66 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.44 1.06 7.81 41 K 8.44 5.01 0.00 1.69 1.63 0.00 1.46 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.36 7.81 42 Y 9.25 4.70 0.00 2.80 2.98 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 43 L 8.66 4.94 0.00 1.68 1.68 0.95 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 44 A 8.66 4.80 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 45 H 8.58 4.92 0.00 3.19 3.26 0.00 5.92 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 46 D 9.09 4.60 0.00 2.76 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 47 P 0.00 4.29 0.00 2.31 2.34 0.00 3.79 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 2.13 2.05 0.00 48 E 8.18 3.91 0.00 2.00 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 2.33 2.38 0.00 49 E 7.95 4.46 0.00 2.17 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 2.47 2.35 0.00 50 K 8.03 4.44 0.00 1.59 1.69 0.00 1.30 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.92 0.46 7.81 51 Y 8.00 4.49 0.00 3.19 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 52 K 8.43 4.47 0.00 1.87 1.85 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 53 L 8.17 4.14 0.00 1.67 1.65 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.16 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 0.00 0.00 0.00 0.00 55 D 8.30 5.23 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 4.60 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 57 V 8.41 4.61 1.92 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 0.61 0.00 0.00 0.81 0.00 0.00 58 E 8.21 4.88 0.00 1.81 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 2.19 2.07 0.00 59 I 8.02 4.65 1.48 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 1.06 0.71 0.57 0.00 0.00 60 I 8.44 4.98 1.87 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 1.17 1.69 1.01 0.00 0.00 61 E 8.79 4.61 0.00 2.39 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 2.28 2.22 0.00 62 S 7.94 4.78 0.00 3.63 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 63 R 8.44 3.99 0.00 1.73 1.79 0.00 3.24 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 64 P 0.00 4.14 0.00 2.03 1.96 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 65 I 7.53 4.29 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.80 0.00 0.00 66 S 7.42 4.43 0.00 3.91 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 67 K 8.59 4.00 0.00 1.73 1.78 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 68 R 8.68 3.52 0.00 1.98 1.77 0.00 3.30 0.00 0.00 3.16 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 69 K 7.95 4.73 0.00 1.84 1.69 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.74 7.81 70 R 8.37 4.55 0.00 1.61 1.31 0.00 3.45 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 71 F 8.19 5.18 0.00 2.97 2.79 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 72 R 8.96 5.00 0.00 1.77 1.81 0.00 3.13 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 73 V 8.08 3.93 1.62 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 0.02 0.00 0.00 0.67 0.00 0.00 74 L 8.51 4.00 0.00 1.78 1.52 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.52 4.70 0.00 2.05 2.05 0.00 3.02 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 76 L 8.37 4.63 0.00 1.90 1.72 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.05 4.14 2.20 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 0.86 0.00 0.00 0.94 0.00 0.00 78 E 7.54 4.64 0.00 2.14 1.99 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 2.22 2.25 0.00 79 S 8.63 4.53 0.00 3.86 3.80 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 80 G 9.49 4.16 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 0.00 81 R 7.51 4.73 0.00 1.81 1.85 0.00 3.31 0.00 0.00 3.54 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 82 M 8.21 4.23 0.00 2.04 2.13 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 2.70 2.56 0.00 83 D 8.06 4.37 0.00 2.87 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 84 L 7.57 3.98 0.00 1.82 1.78 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.63 3.82 2.33 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 1.13 0.00 0.00 1.04 0.00 0.00 86 E 8.51 4.00 0.00 2.20 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 2.63 2.50 0.00 87 K 8.10 3.88 0.00 1.80 1.93 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.50 7.81 88 Y 8.28 4.27 0.00 3.05 3.08 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 89 L 8.39 3.40 0.00 1.92 1.58 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.57 3.63 1.91 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 1.60 0.93 0.85 0.00 0.00 91 R 7.74 3.57 0.00 1.73 1.99 0.00 3.26 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.34 0.00 92 R 7.44 3.64 0.00 1.61 1.74 0.00 2.55 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 93 Q 8.50 3.80 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 94 N 8.58 4.38 0.00 2.67 2.75 0.00 0.00 6.98 7.51 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 95 Y 8.21 4.52 0.00 3.10 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 96 E 7.80 4.16 0.00 2.09 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 2.38 2.35 0.00 97 S 8.22 4.74 0.00 3.92 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 98 L 7.87 4.87 0.00 1.92 1.71 1.04 0.74 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 99 S 7.69 4.95 0.00 3.96 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 0.00 100 K 8.23 4.27 0.00 1.71 1.76 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 *101 R 7.99 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.