NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3998 8.1227 122.4634 52.1706 20.2354 175.2862 3 Q 4.8177 8.4186 122.2665 55.4866 32.4935 172.8320 4 K 4.4658 9.8152 130.5790 53.8703 36.4226 171.4844 5 T 4.8504 8.3468 122.3994 61.4940 69.8600 174.4345 6 F 5.1058 9.1832 127.2186 56.2613 42.9781 175.4512 7 K 4.8781 9.3544 124.6292 53.2112 34.5515 176.6497 8 V 4.1879 8.9870 128.1034 62.5882 32.1069 176.2667 9 T 4.7163 9.2739 117.9109 61.1379 70.1746 174.4574 10 A 4.0668 7.8731 127.0424 52.2610 18.8974 178.2428 11 D 4.3578 8.8285 122.9440 56.8007 41.5440 176.9774 12 S 4.5192 8.0880 112.7471 57.4068 63.0664 175.2736 13 G 3.9088 7.5457 111.7674 44.8756 0.0000 175.1252 14 I 3.9632 8.0511 119.9987 60.3213 35.5003 175.6372 15 H 4.7058 7.7597 120.7137 54.0606 31.0023 176.0324 16 A 3.7795 8.0337 120.2615 56.3944 18.3897 180.1194 17 R 3.8791 8.0966 117.1463 61.0167 29.6288 179.2084 18 P 4.3323 0.0000 0.0000 65.7371 31.3307 177.9081 19 A 3.9760 8.1914 121.3011 56.0317 18.1118 178.8968 20 T 3.8442 8.2194 114.1997 65.9342 68.4707 176.5959 21 V 3.5647 8.0407 120.5091 65.3431 31.2863 178.4581 22 L 3.8857 8.3599 120.8664 58.1013 41.9337 179.3379 23 V 3.9803 7.8566 113.0217 63.1730 31.3008 178.6250 24 Q 3.9976 8.0456 117.7762 59.0079 28.6642 178.3499 25 T 4.0630 7.8863 116.2661 66.5581 68.5163 176.5600 26 A 4.1093 7.8089 122.8008 55.4698 18.2098 179.7520 27 S 4.1766 8.1943 112.6501 61.6662 62.9721 176.5767 28 K 4.0547 7.7815 118.7289 56.9441 32.0544 176.3177 29 Y 4.8883 7.1638 116.7947 55.8699 41.0449 175.6966 30 D 4.4280 9.3700 123.2192 57.4567 41.1301 177.4200 31 A 4.3508 8.4089 119.6369 52.7658 19.3607 176.8263 32 D 4.7149 9.1873 119.9390 53.5605 42.8591 175.8803 33 V 4.9064 8.3904 122.2643 61.3429 34.5064 174.3246 34 N 5.4211 9.2674 125.2745 51.6994 42.3500 173.5923 35 L 5.0282 8.7091 121.3097 53.9467 45.6344 174.1316 36 E 5.1168 9.3877 127.9235 55.0004 32.4486 174.5807 37 Y 4.9840 9.1883 127.9892 56.7761 40.2399 173.0882 38 N 3.8148 8.6963 125.2038 53.3453 34.3787 173.2569 39 G 4.0299 8.5640 113.1189 45.5705 0.0000 172.5901 40 K 3.9309 7.6754 116.9453 56.7481 33.1706 175.2251 41 T 5.1596 8.5252 118.3819 60.5216 70.7995 172.7319 42 V 4.6129 8.9376 120.2503 59.3779 36.7431 173.6019 43 N 4.9524 8.5959 120.3189 53.1417 38.6836 174.7433 44 L 4.1693 9.4512 128.6991 56.0100 43.2884 177.2455 45 K 4.1963 8.8807 117.9796 57.5939 32.3350 177.9294 *47 I 4.1903 7.9082 119.8056 61.9031 39.7532 177.4777 48 M 3.9450 8.0043 119.6006 58.3319 31.5600 178.6360 49 G 3.7560 8.0986 104.0118 48.0765 0.0000 174.8932 50 V 3.7272 7.8668 120.6724 66.1945 31.5531 177.9584 51 M 4.1170 7.8128 117.4865 58.1497 31.5900 178.4218 52 S 4.3838 8.1202 112.9310 59.9744 63.3117 175.4096 53 L 4.4029 7.9773 122.0016 54.3079 42.4510 176.2654 54 G 3.9552 7.8668 107.2378 46.2416 0.0000 174.5427 55 I 2.8160 7.2795 118.6790 60.9702 37.4915 176.6107 56 A 4.7147 8.2534 131.1410 50.4934 21.0344 176.2744 57 K 4.1363 8.2536 121.0515 56.1947 32.0358 174.8983 58 G 3.9808 9.1312 112.0793 44.2867 0.0000 173.1462 59 A 4.5691 7.7346 121.5798 51.1754 20.4371 176.7699 60 E 5.1127 9.0085 121.7199 54.6630 31.2923 175.0675 61 I 4.9960 8.5158 120.3059 59.5033 41.3889 174.6080 62 T 5.0200 8.7453 119.1070 62.0149 71.9659 172.9659 63 I 5.1067 8.5755 127.2895 59.7829 39.6985 175.0425 64 S 5.2784 8.8954 119.5806 57.0973 66.7736 172.5700 65 A 5.7423 8.5044 121.1824 51.1498 22.8513 176.0954 66 S 4.4838 9.1273 114.5044 56.4805 66.9776 174.1156 67 G 4.3956 8.4238 113.1592 45.5837 0.0000 172.7327 68 A 4.1083 8.5881 123.4642 54.6228 18.3797 178.3895 69 D 5.0310 7.9354 113.9254 52.9471 40.2764 177.9611 70 E 3.8780 8.4438 121.0863 60.8525 29.3155 178.4726 71 N 4.4281 8.0677 116.5517 55.0073 38.5358 177.0283 72 D 4.2618 7.7730 120.2963 56.9209 41.1690 178.1331 73 A 2.5800 7.5066 121.3772 54.5602 18.2855 179.4209 74 L 3.8844 7.9653 117.7188 58.1547 41.7841 179.4850 75 N 4.2797 7.8420 115.3011 56.4546 38.5691 177.2443 76 A 4.0892 8.0341 122.0562 55.2036 18.3464 179.7484 77 L 3.8807 8.0413 117.4387 57.9054 41.7865 179.1946 78 E 4.0408 8.8451 122.1469 60.1388 29.4663 179.4482 79 E 4.0617 8.7299 118.6116 61.3625 29.6859 181.2668 80 T 3.8305 7.9699 116.3232 66.4623 68.4203 176.6509 81 M 3.7879 8.1296 120.6173 58.3974 32.1346 178.2397 82 K 3.9367 7.9079 119.4900 59.4777 32.2914 178.3600 83 S 4.0383 8.4971 113.7967 61.6625 62.2024 175.0880 84 E 4.3293 8.8054 117.3295 55.6112 29.2000 176.8397 85 R 3.6959 7.7948 116.8610 57.3416 28.5585 177.2181 86 L 4.2385 8.6473 119.5297 56.4623 42.7483 177.3797 87 G 4.2605 7.1565 103.1922 45.3016 0.0000 172.9177 88 E 4.4275 8.8094 118.0632 56.5746 30.3893 176.0727 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 4.40 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 3 Q 8.42 4.82 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 4 K 9.82 4.47 0.00 1.44 1.59 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.27 7.81 5 T 8.35 4.85 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 1.30 0.00 0.00 6 F 9.18 5.11 0.00 2.96 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 7 K 9.35 4.88 0.00 1.36 1.67 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.21 7.81 8 V 8.99 4.19 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 0.99 0.00 0.00 0.95 0.00 0.00 9 T 9.27 4.72 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 1.32 0.00 0.00 10 A 7.87 4.07 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 11 D 8.83 4.36 0.00 2.63 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 12 S 8.09 4.52 0.00 3.98 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 13 G 7.55 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 0.00 0.00 0.00 14 I 8.05 3.96 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.82 0.00 0.00 15 H 7.76 4.71 0.00 3.34 3.45 0.00 5.69 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 8.03 3.78 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 17 R 8.10 3.88 0.00 1.83 1.96 0.00 3.26 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 18 P 0.00 4.33 0.00 2.14 2.22 0.00 3.42 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.76 0.00 19 A 8.19 3.98 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 8.22 3.84 4.46 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 1.20 0.00 0.00 21 V 8.04 3.56 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 0.80 0.00 0.00 0.93 0.00 0.00 22 L 8.36 3.89 0.00 1.94 1.84 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.86 3.98 2.19 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 1.03 0.00 0.00 0.95 0.00 0.00 24 Q 8.05 4.00 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 25 T 7.89 4.06 4.38 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 1.34 0.00 0.00 26 A 7.81 4.11 1.33 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 0.00 0.00 0.00 27 S 8.19 4.18 0.00 4.04 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 28 K 7.78 4.05 0.00 1.60 1.43 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.68 7.81 29 Y 7.16 4.89 0.00 2.94 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 30 D 9.37 4.43 0.00 2.88 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 31 A 8.41 4.35 1.33 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 0.00 0.00 0.00 32 D 9.19 4.71 0.00 2.58 2.61 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 33 V 8.39 4.91 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 1.08 0.00 0.00 0.94 0.00 0.00 34 N 9.27 5.42 0.00 2.68 2.73 0.00 0.00 5.95 6.52 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 35 L 8.71 5.03 0.00 1.70 1.48 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.39 5.12 0.00 2.04 1.80 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 2.52 2.38 0.00 37 Y 9.19 4.98 0.00 2.85 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 38 N 8.70 3.81 0.00 2.57 2.68 0.00 0.00 7.23 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 8.56 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 40 K 7.68 3.93 0.00 1.76 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.47 7.81 41 T 8.53 5.16 4.27 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 1.28 0.00 0.00 42 V 8.94 4.61 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 0.77 0.00 0.00 0.98 0.00 0.00 43 N 8.60 4.95 0.00 2.74 2.74 0.00 0.00 6.87 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 9.45 4.17 0.00 1.88 1.64 0.92 0.36 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 8.88 4.20 0.00 2.00 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.39 7.81 *47 I 7.91 4.19 1.87 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 1.41 1.23 0.91 0.00 0.00 48 M 8.00 3.95 0.00 2.07 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 8.10 3.76 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 0.00 0.00 0.00 50 V 7.87 3.73 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 1.02 0.00 0.00 0.92 0.00 0.00 51 M 7.81 4.12 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 52 S 8.12 4.38 0.00 4.02 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 53 L 7.98 4.40 0.00 1.74 1.80 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.87 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 55 I 7.28 2.82 1.60 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.22 0.54 0.00 0.00 56 A 8.25 4.71 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 57 K 8.25 4.14 0.00 1.79 1.62 0.00 1.81 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 1.01 7.81 58 G 9.13 3.98 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 0.00 59 A 7.73 4.57 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 60 E 9.01 5.11 0.00 2.02 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 0.00 2.24 2.31 0.00 61 I 8.52 5.00 1.95 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 1.33 0.88 0.93 0.00 0.00 62 T 8.75 5.02 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 1.23 0.00 0.00 63 I 8.58 5.11 2.08 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 1.33 0.88 0.96 0.00 0.00 64 S 8.90 5.28 0.00 3.86 3.90 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 65 A 8.50 5.74 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 66 S 9.13 4.48 0.00 3.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.42 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.11 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 7.94 5.03 0.00 3.05 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 70 E 8.44 3.88 0.00 2.18 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 0.00 2.59 2.35 0.00 71 N 8.07 4.43 0.00 2.73 2.88 0.00 0.00 7.09 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 7.77 4.26 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 73 A 7.51 2.58 1.04 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 0.00 0.00 0.00 0.00 0.00 74 L 7.97 3.88 0.00 1.71 1.72 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.84 4.28 0.00 2.84 2.87 0.00 0.00 6.99 7.94 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 76 A 8.03 4.09 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 77 L 8.04 3.88 0.00 1.86 1.66 0.93 0.63 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 78 E 8.85 4.04 0.00 2.33 2.30 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 2.44 2.69 0.00 79 E 8.73 4.06 0.00 1.96 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 2.24 2.22 0.00 80 T 7.97 3.83 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 1.17 0.00 0.00 81 M 8.13 3.79 0.00 1.84 1.62 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.40 0.00 82 K 7.91 3.94 0.00 2.01 1.96 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 83 S 8.50 4.04 0.00 3.80 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 84 E 8.81 4.33 0.00 2.00 1.89 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 2.36 2.37 0.00 85 R 7.79 3.70 0.00 1.82 1.93 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 86 L 8.65 4.24 0.00 1.61 1.59 0.81 1.07 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 87 G 7.16 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 0.00 0.00 0.00 0.00 88 E 8.81 4.43 0.00 2.07 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 2.26 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.