NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 3.9086 8.4444 118.7663 55.4508 31.6602 174.6953 5 N 4.7742 7.4676 119.0371 52.3157 40.9891 171.8353 6 Y 5.7377 8.6903 121.1210 56.7504 42.9751 174.0373 7 L 4.5203 9.0208 121.0506 54.2778 46.3169 173.3684 8 N 5.0445 8.8424 125.3736 52.4367 39.7825 173.8341 9 H 3.7769 8.7951 127.5288 54.7628 30.6134 174.3647 10 P 4.2158 0.0000 0.0000 65.6262 31.5700 177.5760 11 T 4.0126 7.9413 113.0526 65.4103 68.9819 175.7480 12 F 4.3753 7.7372 116.1681 56.9714 40.2659 177.5920 13 G 3.8085 7.9414 109.4865 44.4589 0.0000 171.9148 14 L 4.6576 8.4691 121.8453 55.4002 43.3136 177.4699 15 L 5.6086 9.6380 126.0135 53.1729 45.5800 174.8622 16 Y 5.3771 8.9238 118.5559 55.1319 41.4763 174.4002 17 Q 2.9783 8.3504 123.4733 55.9447 29.1028 175.6935 18 I 4.0684 8.2976 127.8515 63.2864 38.2745 175.5633 19 C 4.5870 7.0982 113.8528 57.9566 31.9119 173.1214 20 S 4.5676 8.4310 115.4337 57.5952 64.0321 172.8812 21 F 4.7746 9.1240 117.6718 59.0340 41.1571 175.3617 22 G 3.4293 8.4636 117.5017 45.8928 0.0000 174.4149 *24 S 4.4346 8.0816 126.8496 57.5605 64.4756 172.2578 25 K 4.9463 8.0423 119.8864 55.7505 34.9458 175.7716 26 E 5.0831 9.3944 121.3373 54.6744 34.5648 174.1007 27 L 5.2329 8.5466 124.7472 53.8491 44.0061 175.4267 28 F 5.2006 9.5236 123.8784 55.8212 43.3411 173.6601 29 A 5.0047 8.5585 120.7438 50.3803 22.8708 175.8022 30 T 4.3069 8.4927 110.1712 61.5066 69.6300 175.7482 31 L 4.0790 8.3741 125.7828 58.3978 42.3039 177.0682 32 Y 4.0565 7.8895 120.1960 56.8817 36.9671 173.9991 33 A 3.6319 8.3841 124.2202 51.3717 16.4854 178.0260 34 Q 3.4907 7.7564 114.0960 57.5788 26.8339 175.7733 35 R 4.0945 7.4291 118.1352 58.5503 30.6311 177.4363 36 L 4.6751 7.7046 116.8039 52.7124 46.0786 175.7173 37 F 5.0968 8.3450 120.1248 55.7419 42.7867 174.3859 38 F 5.3651 9.2813 119.8553 55.7954 43.1825 174.0648 39 L 4.7377 9.2541 124.9001 54.7266 42.8683 176.1760 40 V 4.6035 9.4395 123.6667 60.8189 34.6114 173.9823 41 A 4.7298 8.2096 128.3650 50.0062 22.0035 174.8767 42 F 5.3354 8.1312 119.4429 56.1986 42.6434 173.9478 43 D 4.3725 7.9826 115.6124 53.9002 44.4285 176.0773 44 A 4.3059 8.6558 121.4972 53.1474 18.3070 178.4079 45 R 4.3560 7.7592 115.1999 57.7589 30.1512 177.4485 46 G 4.5644 7.4597 102.5922 47.0710 0.0000 172.5921 47 T 4.7239 7.9824 117.6806 62.8445 69.3823 174.5375 48 R 4.6634 8.5122 122.6613 54.2287 33.1253 174.1714 49 F 5.3436 8.9203 119.1508 55.6909 42.2522 173.9906 50 E 4.9319 9.3973 124.3411 53.5611 32.1385 173.4469 51 P 4.7856 0.0000 0.0000 63.0070 32.3232 175.5480 52 I 4.6608 7.9838 113.8616 59.2597 40.8869 175.1687 53 G 3.8218 8.5835 112.3493 45.0505 0.0000 174.6702 54 R 3.6980 8.6533 119.9311 59.4721 30.0862 178.6871 55 N 4.2016 8.0227 115.7658 56.1419 38.5753 176.8312 56 E 3.9005 8.0219 120.0821 58.7339 29.8186 178.4285 57 A 3.8680 8.1338 121.4791 54.8712 18.2868 179.2831 58 R 2.5100 7.4589 117.2656 59.6579 29.8980 178.7130 59 M 3.9716 7.7122 117.9610 57.9238 31.7629 178.6427 60 L 3.8165 7.7015 120.7653 58.2362 42.2624 179.2829 61 V 3.8159 8.0488 118.2795 65.8026 31.4423 177.1983 62 D 4.1270 8.4189 118.1737 57.5185 41.0531 177.9233 63 N 4.2578 8.3492 116.9810 56.6000 38.5490 177.2096 64 R 4.0395 8.2961 119.8379 59.5456 30.0487 178.5316 65 L 4.0105 8.2438 119.0097 57.8961 41.6356 179.4479 66 R 3.9773 8.1607 118.0466 59.6476 29.9182 179.1748 67 Q 4.0535 8.1846 117.5888 58.8376 28.7723 178.5747 68 L 4.0359 8.2998 120.3050 57.7248 41.4443 179.4465 69 R 3.5735 8.2684 118.0459 59.4944 30.0541 178.5419 70 R 4.0993 7.6646 116.0270 58.4507 30.3327 177.1593 71 D 4.8550 8.3418 114.2847 53.6526 42.8367 175.1181 72 A 4.9196 7.7611 122.1559 50.0561 22.0274 176.2290 73 S 4.5179 8.0525 109.2922 57.9232 65.3947 175.0546 74 L 4.0166 8.4228 123.3115 58.1454 41.3600 179.4860 75 Q 3.9984 8.1417 118.8106 59.3972 28.8979 178.2968 76 E 3.9595 8.2536 119.4007 59.4913 29.5395 178.5076 77 Y 4.0324 7.9322 119.1729 61.0303 38.9538 178.1956 78 N 4.3481 8.6900 117.5583 56.1943 38.6075 177.4164 79 Q 3.9619 8.4066 119.8706 59.0743 28.8556 178.7985 80 L 3.9569 8.0580 121.3771 58.0656 42.0257 178.7869 81 Q 3.8333 7.8950 119.6836 58.9427 28.9641 177.8021 82 Q 3.9589 7.8893 120.2206 59.3566 29.1185 178.5865 83 V 3.6201 7.7588 119.1811 65.8898 31.5058 177.6846 84 F 4.2661 8.6578 120.9357 61.3380 39.1376 177.1001 85 K 4.1217 8.4472 119.3379 59.5028 31.7893 178.7481 86 Q 4.0369 8.1223 117.4468 58.4035 28.7479 177.8232 87 T 4.0300 7.6118 115.8875 64.7138 68.9351 175.5881 88 F 4.8010 7.9165 116.4955 56.7326 41.4168 175.1881 89 L 4.3551 7.5600 124.8400 54.7160 41.6755 176.0545 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 4 E 8.44 3.91 0.00 2.08 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 2.13 2.26 0.00 5 N 7.47 4.77 0.00 2.94 2.61 0.00 0.00 6.90 6.67 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 6 Y 8.69 5.74 0.00 2.97 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 7 L 9.02 4.52 0.00 1.68 1.25 1.00 0.14 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 8 N 8.84 5.04 0.00 2.81 2.74 0.00 0.00 7.06 7.89 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 9 H 8.80 3.78 0.00 2.73 3.00 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.22 0.00 1.98 2.04 0.00 2.82 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.02 0.00 11 T 7.94 4.01 3.63 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 0.56 0.00 0.00 12 F 7.74 4.38 0.00 2.68 3.01 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 13 G 7.94 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 0.00 0.00 0.00 14 L 8.47 4.66 0.00 1.85 1.68 1.03 0.38 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 15 L 9.64 5.61 0.00 1.86 1.92 0.77 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.92 5.38 0.00 2.62 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 17 Q 8.35 2.98 0.00 1.02 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 1.95 1.50 0.00 18 I 8.30 4.07 1.81 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.06 0.93 0.00 0.00 19 C 7.10 4.59 0.00 2.75 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 20 S 8.43 4.57 0.00 3.68 3.78 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 21 F 9.12 4.77 0.00 3.24 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 22 G 8.46 3.43 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 0.00 0.00 0.00 *24 S 8.08 4.43 0.00 3.67 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 25 K 8.04 4.95 0.00 1.84 1.90 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.42 7.81 26 E 9.39 5.08 0.00 2.17 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 2.38 2.60 0.00 27 L 8.55 5.23 0.00 1.99 1.45 1.24 1.18 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 28 F 9.52 5.20 0.00 3.05 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 29 A 8.56 5.00 0.46 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 0.00 0.00 30 T 8.49 4.31 4.35 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 1.31 0.00 0.00 31 L 8.37 4.08 0.00 2.08 1.89 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.89 4.06 0.00 3.00 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 33 A 8.38 3.63 1.39 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 0.00 0.00 34 Q 7.76 3.49 0.00 2.04 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 35 R 7.43 4.09 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 36 L 7.70 4.68 0.00 1.23 0.75 0.35 0.78 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 37 F 8.34 5.10 0.00 3.07 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 38 F 9.28 5.37 0.00 3.12 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 39 L 9.25 4.74 0.00 1.84 1.67 0.91 0.98 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 40 V 9.44 4.60 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 -0.18 0.00 0.00 0.82 0.00 0.00 41 A 8.21 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 42 F 8.13 5.34 0.00 2.92 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 43 D 7.98 4.37 0.00 2.72 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 44 A 8.66 4.31 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 R 7.76 4.36 0.00 2.08 1.99 0.00 3.38 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 46 G 7.46 4.56 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 0.00 0.00 0.00 47 T 7.98 4.72 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 0.73 0.00 0.00 48 R 8.51 4.66 0.00 1.76 1.92 0.00 2.66 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 0.00 49 F 8.92 5.34 0.00 2.81 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 50 E 9.40 4.93 0.00 2.07 1.85 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 2.25 2.28 0.00 51 P 0.00 4.79 0.00 2.00 1.82 0.00 3.95 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 52 I 7.98 4.66 1.85 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 1.22 0.65 0.92 0.00 0.00 53 G 8.58 3.82 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 0.00 0.00 0.00 54 R 8.65 3.70 0.00 2.09 2.01 0.00 3.36 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 55 N 8.02 4.20 0.00 2.71 2.78 0.00 0.00 6.78 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 56 E 8.02 3.90 0.00 1.97 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 0.00 2.30 2.29 0.00 57 A 8.13 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.46 2.51 0.00 0.89 1.73 0.00 2.69 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.00 59 M 7.71 3.97 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.47 0.00 60 L 7.70 3.82 0.00 2.05 1.87 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.05 3.82 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 1.31 0.00 0.00 1.26 0.00 0.00 62 D 8.42 4.13 0.00 2.95 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 63 N 8.35 4.26 0.00 2.90 2.85 0.00 0.00 6.74 7.97 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 64 R 8.30 4.04 0.00 2.36 2.30 0.00 3.26 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 65 L 8.24 4.01 0.00 1.83 1.69 0.49 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.16 3.98 0.00 2.08 2.00 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 67 Q 8.18 4.05 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 68 L 8.30 4.04 0.00 2.04 1.89 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.27 3.57 0.00 1.58 2.09 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.00 70 R 7.66 4.10 0.00 1.82 1.95 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 71 D 8.34 4.86 0.00 2.74 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 72 A 7.76 4.92 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 73 S 8.05 4.52 0.00 4.10 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 74 L 8.42 4.02 0.00 1.73 1.81 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.14 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 76 E 8.25 3.96 0.00 2.26 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 2.34 2.34 0.00 77 Y 7.93 4.03 0.00 3.04 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 78 N 8.69 4.35 0.00 2.94 2.88 0.00 0.00 7.09 7.15 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 79 Q 8.41 3.96 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 80 L 8.06 3.96 0.00 1.70 1.54 0.92 0.95 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 81 Q 7.89 3.83 0.00 1.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 82 Q 7.89 3.96 0.00 2.24 2.27 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 2.36 2.42 0.00 83 V 7.76 3.62 2.24 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 1.02 0.00 0.00 0.98 0.00 0.00 84 F 8.66 4.27 0.00 3.21 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 85 K 8.45 4.12 0.00 2.00 1.99 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.55 7.81 86 Q 8.12 4.04 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 87 T 7.61 4.03 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 0.34 0.00 0.00 88 F 7.92 4.80 0.00 2.21 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 89 L 7.56 4.36 0.00 1.76 1.60 1.11 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.