NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4153 8.1233 122.4650 52.2134 20.2886 175.5706 3 Q 5.0230 8.0351 119.7733 55.9981 33.5794 173.2086 4 K 4.1078 8.9607 118.0399 55.2035 35.5650 171.4283 5 T 4.7048 8.4606 123.4152 62.1584 69.9133 174.4360 6 F 5.0322 9.4693 125.4519 56.2159 44.1082 174.5085 7 K 4.9879 10.1628 123.2195 53.2786 34.8333 175.7481 8 V 4.0154 9.0203 127.6398 62.5884 31.8058 176.2419 9 T 4.2367 8.7897 118.6701 63.4743 70.6088 175.5814 10 A 3.8651 7.2704 125.2772 52.0680 18.7383 177.7909 11 D 4.3815 8.9137 123.4600 57.6678 41.1297 178.2143 12 S 4.0533 8.0995 113.5742 59.7821 62.9028 175.4228 13 G 3.8943 7.6822 106.5400 45.0335 0.0000 174.3080 14 I 4.0676 7.8082 120.2949 60.1569 35.9434 176.3396 15 H 4.7385 7.4263 121.0028 54.3834 30.8603 175.3472 16 A 3.9578 8.7592 120.0768 57.0258 17.9657 180.3543 17 R 3.8869 8.0624 116.7328 61.1960 29.5529 178.9284 18 P 4.2940 0.0000 0.0000 65.4430 31.3963 178.2982 19 A 3.9512 7.8960 119.1418 55.6658 18.1999 179.6239 20 T 3.7797 8.1778 114.3566 67.0247 68.3462 176.9997 21 V 3.6045 7.4972 118.5366 66.1389 31.7284 177.5308 22 L 4.0075 8.4857 119.4143 57.5321 41.4284 179.4575 23 V 4.3871 8.4839 113.6440 64.2147 31.4917 178.5437 24 Q 3.9801 8.0520 118.0507 59.4750 29.0788 178.5174 25 T 4.0442 8.1702 116.6840 66.7120 68.7032 176.4660 26 A 4.1488 8.1939 122.0972 55.7735 17.9956 179.6993 27 S 4.1884 8.1297 112.6754 61.4544 62.9710 175.8872 28 K 3.9541 8.0841 119.3004 57.8380 31.8659 176.2357 29 Y 4.8348 7.2638 116.0205 56.0048 40.5095 175.8133 30 D 4.4003 9.6768 123.1775 57.4545 41.1347 177.3326 31 A 4.3593 8.3755 119.5887 52.4967 19.2885 177.0282 32 D 4.7484 8.9271 119.1176 54.0847 43.1554 176.4343 33 V 4.8578 8.1021 119.5311 62.0167 34.8391 173.6303 34 N 5.4964 9.3027 125.6298 51.5952 42.1421 173.6121 35 L 5.3117 8.7646 121.8737 53.3652 45.7256 174.8107 36 E 5.3799 9.1690 123.8808 54.8966 32.8365 174.5307 37 Y 4.9830 9.1161 124.2935 56.3326 41.9814 174.6576 38 N 4.1581 9.8618 126.7443 54.4124 36.2085 174.1652 39 G 4.3440 8.6311 110.1262 45.5898 0.0000 174.4669 40 K 4.0809 7.5701 120.1635 56.8455 32.9490 176.4492 41 T 5.2480 8.5691 121.1234 62.0362 71.5671 173.5593 42 V 4.5775 8.9330 118.1775 59.3760 36.8834 173.8277 43 N 5.0203 8.5980 120.4831 52.9498 39.1561 174.5124 44 L 4.1720 9.4059 128.2988 55.8221 43.0116 177.5137 45 K 4.3630 8.8247 117.2702 57.5996 32.1527 177.5540 *47 I 4.1819 7.6685 119.8313 61.7153 39.6523 177.8629 48 M 3.9007 7.8695 119.3319 58.2308 31.5817 179.0220 49 G 3.6594 8.0025 104.7849 48.0697 0.0000 175.2564 50 V 3.6928 7.4637 121.2746 65.9353 31.4393 177.7670 51 M 4.0582 8.1558 118.1670 58.5828 31.5713 178.9179 52 S 4.2918 8.3308 114.0831 61.2289 63.3058 175.5546 53 L 4.0799 8.0081 122.0561 55.8535 41.5762 177.2948 54 G 3.8673 7.7455 104.1978 46.2414 0.0000 173.9759 55 I 3.1181 7.8987 120.5281 61.3033 37.3173 176.0638 56 A 4.8656 8.2123 130.3483 50.2682 21.0554 176.5674 57 K 4.1462 8.2862 121.0010 56.5254 31.9442 176.4333 58 G 3.9625 9.3759 111.7069 44.4201 0.0000 173.1995 59 A 4.4995 7.6619 121.3622 51.1222 20.4001 176.7534 60 E 5.1110 8.9341 121.8075 54.6687 31.1474 175.0581 61 I 4.9119 8.3977 120.3982 59.4713 41.3949 174.6186 62 T 4.9436 8.6681 119.1726 62.0164 72.0666 172.9623 63 I 5.1440 8.4876 127.5770 59.7442 39.6534 175.0306 64 S 5.2004 8.8422 119.4573 56.7787 66.6601 172.7151 65 A 5.7204 8.4072 121.9952 49.5267 22.6219 175.8124 66 S 5.2847 8.5603 113.7473 56.1908 65.8114 173.9277 67 G 4.3406 9.1295 115.5842 44.3574 0.0000 172.1727 68 A 3.9743 8.4210 122.6952 55.4723 18.1331 178.6583 69 D 4.8310 8.1851 113.2151 54.1110 39.9500 178.3048 70 E 3.8104 8.1521 120.6002 60.5230 29.2564 179.1406 71 N 4.2913 8.0976 115.5496 56.5427 38.6945 177.0828 72 D 4.2715 8.0617 119.4725 57.1561 40.8481 178.5513 73 A 2.5800 7.7735 121.3415 54.8493 18.3442 179.8286 74 L 3.9099 7.7435 117.3222 57.7295 41.5956 179.5874 75 N 4.3521 8.3562 116.7179 56.0892 38.6051 177.3019 76 A 4.0072 8.0133 122.2760 55.0925 18.4210 179.7329 77 L 3.8495 8.0294 117.6975 57.8809 41.7192 179.1660 78 E 4.0872 8.7143 122.1357 60.2422 29.5902 179.3424 79 E 4.0616 8.3784 118.1162 61.4978 29.6923 181.1637 80 T 4.1492 7.7241 115.6072 66.7043 68.4729 176.7084 81 M 3.9322 8.2169 123.3630 59.1566 31.9890 179.6473 82 K 4.0974 8.0975 123.4869 59.3116 31.7572 180.9351 83 S 4.2330 8.2206 113.9654 61.3668 62.3573 174.7340 84 E 4.4121 8.6209 116.9345 55.4013 29.1233 176.1635 85 R 3.8396 7.5546 116.6969 57.2885 28.7095 178.9964 86 L 4.0769 8.4485 118.9277 57.2727 42.5334 176.6801 87 G 4.2870 6.7812 105.1763 47.2120 0.0000 172.6841 88 E 4.8951 8.7076 118.5470 57.4140 30.1363 176.2014 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 8.12 4.42 1.36 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 0.00 0.00 3 Q 8.04 5.02 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 4 K 8.96 4.11 0.00 1.38 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.22 0.91 7.81 5 T 8.46 4.70 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 1.29 0.00 0.00 6 F 9.47 5.03 0.00 2.91 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 7 K 10.16 4.99 0.00 1.41 1.65 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 8 V 9.02 4.02 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 0.76 0.00 0.00 0.83 0.00 0.00 9 T 8.79 4.24 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 1.30 0.00 0.00 10 A 7.27 3.87 1.34 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 0.00 0.00 0.00 11 D 8.91 4.38 0.00 2.69 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 12 S 8.10 4.05 0.00 3.93 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 13 G 7.68 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 0.00 0.00 0.00 14 I 7.81 4.07 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.83 0.00 0.00 15 H 7.43 4.74 0.00 3.36 3.46 0.00 5.68 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 16 A 8.76 3.96 1.36 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 0.00 0.00 17 R 8.06 3.89 0.00 1.83 1.98 0.00 3.27 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 18 P 0.00 4.29 0.00 2.00 2.02 0.00 3.39 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 19 A 7.90 3.95 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 0.00 0.00 0.00 0.00 0.00 20 T 8.18 3.78 4.43 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 1.20 0.00 0.00 21 V 7.50 3.60 2.16 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 0.81 0.00 0.00 0.94 0.00 0.00 22 L 8.49 4.01 0.00 1.78 1.58 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.48 4.39 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 0.96 0.00 0.00 1.03 0.00 0.00 24 Q 8.05 3.98 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 25 T 8.17 4.04 4.43 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 1.32 0.00 0.00 26 A 8.19 4.15 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 27 S 8.13 4.19 0.00 4.03 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 28 K 8.08 3.95 0.00 1.16 1.38 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.66 7.81 29 Y 7.26 4.83 0.00 3.14 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 30 D 9.68 4.40 0.00 2.92 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 31 A 8.38 4.36 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 32 D 8.93 4.75 0.00 2.64 2.60 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 33 V 8.10 4.86 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 0.98 0.00 0.00 1.00 0.00 0.00 34 N 9.30 5.50 0.00 2.66 2.70 0.00 0.00 5.94 6.70 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 35 L 8.76 5.31 0.00 1.68 1.47 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.17 5.38 0.00 2.14 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 2.21 2.40 0.00 37 Y 9.12 4.98 0.00 2.86 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 38 N 9.86 4.16 0.00 2.50 2.64 0.00 0.00 7.24 7.65 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 39 G 8.63 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 0.00 0.00 0.00 0.00 40 K 7.57 4.08 0.00 1.84 1.79 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.56 7.81 41 T 8.57 5.25 4.26 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 1.23 0.00 0.00 42 V 8.93 4.58 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 0.83 0.00 0.00 0.95 0.00 0.00 43 N 8.60 5.02 0.00 2.74 2.74 0.00 0.00 6.90 7.78 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 44 L 9.41 4.17 0.00 1.88 1.63 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.82 4.36 0.00 1.95 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 *47 I 7.67 4.18 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.24 0.91 0.00 0.00 48 M 7.87 3.90 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 49 G 8.00 3.66 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 0.00 0.00 0.00 50 V 7.46 3.69 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 0.99 0.00 0.00 0.92 0.00 0.00 51 M 8.16 4.06 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 52 S 8.33 4.29 0.00 4.01 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 53 L 8.01 4.08 0.00 1.89 2.13 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.75 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 55 I 7.90 3.12 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.46 0.34 0.00 0.00 56 A 8.21 4.87 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 57 K 8.29 4.15 0.00 1.79 1.63 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.02 7.81 58 G 9.38 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 0.00 0.00 0.00 59 A 7.66 4.50 1.15 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 0.00 0.00 60 E 8.93 5.11 0.00 2.02 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 2.23 2.30 0.00 61 I 8.40 4.91 1.86 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 1.23 0.65 0.66 0.00 0.00 62 T 8.67 4.94 4.29 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 1.25 0.00 0.00 63 I 8.49 5.14 2.01 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 1.33 1.41 0.96 0.00 0.00 64 S 8.84 5.20 0.00 3.92 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 65 A 8.41 5.72 1.18 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 0.00 0.00 0.00 66 S 8.56 5.28 0.00 3.86 3.68 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 67 G 9.13 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 0.00 0.00 0.00 0.00 68 A 8.42 3.97 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 69 D 8.19 4.83 0.00 3.03 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 70 E 8.15 3.81 0.00 2.03 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 0.00 2.24 2.76 0.00 71 N 8.10 4.29 0.00 2.71 2.84 0.00 0.00 6.97 8.08 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 72 D 8.06 4.27 0.00 2.86 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 73 A 7.77 2.58 1.06 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 0.00 0.00 0.00 0.00 0.00 74 L 7.74 3.91 0.00 1.69 1.75 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.36 4.35 0.00 2.83 2.85 0.00 0.00 6.80 7.16 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 76 A 8.01 4.01 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 77 L 8.03 3.85 0.00 1.64 1.60 0.87 1.07 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 78 E 8.71 4.09 0.00 2.38 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 0.00 2.53 2.83 0.00 79 E 8.38 4.06 0.00 2.02 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 2.25 2.23 0.00 80 T 7.72 4.15 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 1.16 0.00 0.00 81 M 8.22 3.93 0.00 1.81 2.10 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.27 0.00 82 K 8.10 4.10 0.00 1.78 1.81 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 83 S 8.22 4.23 0.00 4.03 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 84 E 8.62 4.41 0.00 1.89 1.91 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 2.37 2.37 0.00 85 R 7.55 3.84 0.00 2.03 1.96 0.00 3.16 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 86 L 8.45 4.08 0.00 1.58 1.61 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 87 G 6.78 4.29 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 0.00 88 E 8.71 4.90 0.00 2.19 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 2.08 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.