NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5397 8.1127 121.1223 56.2611 31.9655 173.6008 3 V 4.5827 8.7804 126.2519 60.1062 34.9515 172.2648 4 L 4.8404 8.9309 130.6174 53.7246 44.0774 174.4672 5 V 4.6058 8.8576 127.9053 61.3532 33.5817 174.5917 6 V 4.8140 9.2599 128.7313 61.4810 33.2788 174.1951 7 E 4.7098 9.1581 130.4050 55.1544 32.2232 175.4560 8 D 4.6541 8.9369 127.0247 56.2162 41.8029 175.8516 9 N 4.5432 8.8837 118.3423 52.2335 39.0916 174.7834 10 A 3.8052 8.6007 130.9930 55.4598 18.3239 178.7204 11 L 3.7711 7.8066 117.8949 58.0753 42.1429 178.8047 12 L 3.9383 8.6946 120.7355 57.9954 42.0445 178.6102 13 R 3.9240 8.1734 119.0132 59.9025 29.9569 178.0912 14 H 4.2761 8.2967 115.8642 59.3628 28.8727 177.3095 15 H 4.2633 8.4881 118.2678 59.1423 28.5628 177.7804 16 L 4.0555 8.8131 121.0870 57.6432 41.4119 179.4034 17 K 3.9025 8.2552 119.5705 59.8151 32.1273 179.2885 18 V 3.6704 7.8828 112.5726 64.2380 31.4444 178.4405 19 Q 4.0115 8.0437 117.7383 59.2726 28.4719 179.2887 20 I 3.7916 7.8085 120.5881 64.3839 37.0356 178.5045 21 Q 4.2873 8.2387 120.4110 58.6358 28.3346 178.5583 22 D 4.3607 8.5907 118.8575 57.2299 40.9513 178.0555 23 A 4.2881 7.7687 118.2428 52.5290 18.3879 178.0126 24 G 3.7732 8.1875 106.2175 45.5584 0.0000 173.2343 25 H 5.0668 7.6969 116.7813 53.9440 31.4782 174.2005 26 Q 4.4354 8.4472 118.3300 55.4879 30.7728 174.6093 27 V 4.8233 8.1253 120.3352 61.3589 34.4801 174.1121 28 D 4.5134 8.8997 128.5272 52.9462 42.4603 175.0568 29 D 5.3188 8.3731 122.9460 51.6914 41.1250 175.0707 30 A 5.1770 9.2596 126.2538 50.3367 21.1663 177.4296 31 E 4.1723 10.5671 121.1279 57.8278 30.3304 176.1234 32 D 4.8955 7.6445 115.9133 51.0010 42.5326 175.3985 33 A 3.9657 8.7397 119.6769 55.3328 18.2115 179.6705 34 K 3.9558 9.4809 119.1156 59.7322 32.3369 178.7338 35 E 4.0606 8.8996 119.5015 59.0400 29.4858 178.5647 36 A 4.3388 8.2007 121.1153 55.5424 18.5440 179.3355 37 D 4.5001 8.6916 117.4928 57.5894 40.8505 178.1439 38 Y 4.0469 8.2026 120.0802 61.2041 38.7761 177.9399 39 Y 3.7769 7.9684 117.3066 60.8585 37.7632 178.5572 40 L 3.9583 7.8688 120.3494 58.2878 42.2359 178.6434 41 N 4.3695 7.8481 115.1816 55.7403 38.4211 177.1945 42 E 3.9136 7.2895 119.1489 58.0218 30.1510 176.8702 43 H 4.7907 7.8839 113.9927 53.9785 33.0052 173.4104 44 I 3.7767 8.3034 125.2748 60.4592 37.0451 174.3596 45 P 4.5935 0.0000 0.0000 62.1320 32.2612 176.0950 46 D 4.5441 8.7987 119.2116 56.6748 41.3412 176.5308 47 I 4.4907 7.2244 115.7010 60.0298 41.5125 172.4210 48 A 5.3172 8.6896 129.1564 50.2408 22.1420 174.9792 49 I 4.7812 9.0866 123.6561 59.6880 39.4867 174.9985 50 V 4.6285 8.8208 127.7957 60.9205 33.9087 174.0851 51 D 5.3887 8.7851 128.6544 53.5236 41.5355 176.5694 52 L 4.1047 8.7322 124.5338 56.9991 42.7506 177.6189 53 G 4.2802 8.4545 110.1946 44.2487 0.0000 173.3643 54 L 4.5721 7.2309 118.1716 52.8607 43.8045 176.0460 55 P 4.3441 0.0000 0.0000 65.5168 31.6272 176.7689 56 D 4.3205 7.7559 117.0428 55.9842 41.1947 175.7859 57 E 4.5282 7.5215 115.6764 53.6939 32.7614 175.4662 58 D 4.5398 8.7594 127.1029 53.3364 41.2063 177.3620 59 G 3.8613 8.5341 110.3631 48.1370 0.0000 175.9731 60 L 3.9314 7.9680 121.5137 57.5178 41.6066 179.7149 61 S 4.0770 8.1270 114.7370 61.3399 62.6729 176.3715 62 L 3.7477 7.6039 122.8362 58.3145 41.6867 179.2226 63 I 3.5784 7.7060 119.7637 64.3799 37.0143 178.6880 64 R 3.9328 8.4307 119.3495 59.1251 29.8500 179.1957 65 R 3.9148 8.3567 118.9023 59.1691 30.0695 178.4447 66 W 4.4743 8.4970 119.1812 60.1480 29.1174 178.6661 67 R 4.0227 8.5319 118.4288 59.3973 29.3033 179.3564 68 S 4.2998 8.1074 112.9086 60.8473 63.0094 175.0634 69 N 4.7754 7.8829 118.6608 52.4186 38.6957 174.2171 70 D 4.2911 7.7768 117.9089 55.2519 40.0952 173.9550 71 V 3.9448 8.0303 118.6825 61.5419 31.0422 175.4048 72 S 4.7011 8.3975 121.2700 57.3526 63.9695 174.2136 73 L 4.1225 7.8296 121.4855 55.7613 40.8474 175.3837 74 P 4.6803 0.0000 0.0000 63.1959 32.7672 175.2075 75 I 5.1506 9.1075 124.1851 59.4056 40.8904 173.9789 76 L 5.0599 8.8475 129.1053 53.3441 44.1802 175.3179 77 V 4.7272 8.7534 126.6555 61.8682 33.9097 174.2630 78 L 5.2463 8.7280 126.5339 53.4263 44.0711 175.5070 79 T 4.9327 9.3541 117.2065 61.0819 70.9163 173.7670 80 A 3.9466 8.7026 129.2367 53.4465 20.8096 178.4976 81 R 3.8474 7.2248 114.9433 57.6643 30.0155 179.5907 82 E 4.4902 8.6164 116.3782 57.1629 31.7014 176.2022 83 S 4.0352 7.9260 113.2000 58.2267 63.5471 175.1724 84 W 4.3106 9.0117 128.4412 60.4457 27.8410 179.1512 85 Q 3.3353 6.8835 121.5807 59.6648 27.1411 181.9583 86 D 4.4623 7.6593 121.4210 57.6602 41.2536 178.9870 87 K 3.5746 8.0165 124.4043 59.8447 31.6932 180.9919 88 V 3.8874 7.5689 119.4814 65.9184 31.2699 177.5989 89 E 3.9167 8.0896 118.8099 59.4414 29.2524 179.2835 90 V 3.6020 7.5972 111.8809 64.4057 31.5894 178.5914 91 L 4.3508 7.8365 119.5985 57.3278 41.3250 179.2874 92 S 4.1378 8.0308 114.0562 61.8267 62.8970 176.3985 93 A 4.1657 8.1334 122.3369 54.4023 18.1373 176.9862 94 G 3.3435 7.3994 104.8374 44.9835 0.0000 174.1927 95 A 4.2203 7.7996 125.1286 52.4979 18.9874 178.0084 96 D 4.5880 9.1164 123.3668 57.3654 42.1963 176.5639 97 D 4.6725 7.7974 117.1828 53.8360 44.3029 177.0043 98 Y 5.3396 7.4748 112.0094 57.6857 40.7121 174.3208 99 V 4.7054 8.8414 121.0340 61.3187 34.8867 174.6498 100 T 5.0250 8.8270 117.4955 61.1649 70.1384 173.8016 101 K 4.7164 9.3485 125.1997 54.9959 34.0498 174.8545 102 P 4.3130 0.0000 0.0000 62.2018 32.4176 174.7210 103 F 5.0223 7.2375 112.9487 55.8317 41.2583 173.0934 104 H 4.9105 8.7613 117.7254 54.0323 29.9697 176.3472 105 I 3.8462 8.7430 123.8565 64.3047 38.0231 177.7011 106 E 4.0996 8.2693 118.7278 59.1997 29.8775 177.7841 107 E 4.0338 8.4755 119.8793 59.3216 29.7370 179.5355 108 V 3.3035 7.0544 113.5416 63.2209 30.9522 176.4050 *110 A 4.3814 8.0723 123.3158 51.8848 20.3440 179.6117 111 R 4.2115 7.7395 113.0366 57.1277 29.7272 178.6868 *113 Q 4.1390 8.2505 117.7969 56.0890 30.9161 176.3573 114 A 4.1462 8.0438 120.5751 55.5599 18.3839 180.2335 115 L 4.3742 7.8014 114.1749 55.3738 41.2168 179.4174 *117 R 4.1644 8.1396 119.5923 56.4886 31.4122 176.7089 118 R 4.1050 7.6884 115.2393 58.1883 30.4232 175.8291 119 N 4.5883 7.8158 119.4478 53.4534 39.5602 173.8895 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 R 8.11 4.54 0.00 1.89 1.85 0.00 3.02 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 3 V 8.78 4.58 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.85 0.00 0.00 4 L 8.93 4.84 0.00 1.81 1.57 0.95 0.77 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 5 V 8.86 4.61 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 0.93 0.00 0.00 6 V 9.26 4.81 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 1.03 0.00 0.00 1.09 0.00 0.00 7 E 9.16 4.71 0.00 2.11 1.76 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 2.29 2.47 0.00 8 D 8.94 4.65 0.00 2.66 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 9 N 8.88 4.54 0.00 2.77 2.85 0.00 0.00 6.93 8.39 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 10 A 8.60 3.81 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 11 L 7.81 3.77 0.00 1.71 1.74 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.69 3.94 0.00 1.81 1.88 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.17 3.92 0.00 2.06 1.99 0.00 3.26 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 14 H 8.30 4.28 0.00 3.30 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.49 4.26 0.00 3.41 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.81 4.06 0.00 1.93 1.76 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.26 3.90 0.00 1.92 2.01 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 V 7.88 3.67 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 0.87 0.00 0.00 0.96 0.00 0.00 19 Q 8.04 4.01 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 20 I 7.81 3.79 1.89 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 1.53 1.12 0.95 0.00 0.00 21 Q 8.24 4.29 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 22 D 8.59 4.36 0.00 2.77 2.74 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 23 A 7.77 4.29 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 24 G 8.19 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.70 5.07 0.00 3.10 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.45 4.44 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 27 V 8.13 4.82 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 0.83 0.00 0.00 0.93 0.00 0.00 28 D 8.90 4.51 0.00 2.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.37 5.32 0.00 2.65 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 30 A 9.26 5.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.57 4.17 0.00 2.11 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 2.35 2.42 0.00 32 D 7.64 4.90 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.74 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.48 3.96 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 E 8.90 4.06 0.00 2.21 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 2.64 2.36 0.00 36 A 8.20 4.34 1.78 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 0.00 0.00 37 D 8.69 4.50 0.00 3.13 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 38 Y 8.20 4.05 0.00 3.04 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 39 Y 7.97 3.78 0.00 3.13 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 40 L 7.87 3.96 0.00 1.69 1.46 -0.39 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.85 4.37 0.00 2.76 2.77 0.00 0.00 7.12 7.52 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 42 E 7.29 3.91 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 43 H 7.88 4.79 0.00 3.01 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.30 3.78 1.83 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 1.41 0.68 0.84 0.00 0.00 45 P 0.00 4.59 0.00 2.36 2.02 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 46 D 8.80 4.54 0.00 2.62 2.74 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 47 I 7.22 4.49 1.85 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 1.28 1.32 0.87 0.00 0.00 48 A 8.69 5.32 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 49 I 9.09 4.78 1.88 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 1.09 0.91 0.89 0.00 0.00 50 V 8.82 4.63 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 0.90 0.00 0.00 0.93 0.00 0.00 51 D 8.79 5.39 0.00 2.86 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 52 L 8.73 4.10 0.00 1.73 1.66 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.45 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 0.00 0.00 0.00 0.00 54 L 7.23 4.57 0.00 1.82 1.58 0.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.34 0.00 2.17 2.17 0.00 3.80 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 2.09 0.00 56 D 7.76 4.32 0.00 2.65 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 57 E 7.52 4.53 0.00 1.88 1.70 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 2.09 2.21 0.00 58 D 8.76 4.54 0.00 2.94 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 59 G 8.53 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 0.00 0.00 0.00 60 L 7.97 3.93 0.00 1.92 1.69 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.13 4.08 0.00 3.97 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 62 L 7.60 3.75 0.00 1.61 1.55 0.56 -0.82 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 63 I 7.71 3.58 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.40 1.00 0.00 0.00 64 R 8.43 3.93 0.00 1.92 1.98 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 65 R 8.36 3.91 0.00 1.92 2.08 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 66 W 8.50 4.47 0.00 3.51 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 67 R 8.53 4.02 0.00 1.86 2.04 0.00 3.35 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 68 S 8.11 4.30 0.00 4.07 4.13 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 69 N 7.88 4.78 0.00 2.78 2.89 0.00 0.00 6.95 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 70 D 7.78 4.29 0.00 2.81 2.73 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 71 V 8.03 3.94 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 0.59 0.00 0.00 0.67 0.00 0.00 72 S 8.40 4.70 0.00 4.00 3.93 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 73 L 7.83 4.12 0.00 1.64 1.71 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.68 0.00 2.10 2.02 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 75 I 9.11 5.15 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 1.01 0.00 0.00 76 L 8.85 5.06 0.00 1.72 1.49 0.89 0.51 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 77 V 8.75 4.73 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 1.06 0.00 0.00 0.96 0.00 0.00 78 L 8.73 5.25 0.00 1.69 1.66 0.76 0.43 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 79 T 9.35 4.93 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 1.15 0.00 0.00 80 A 8.70 3.95 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 81 R 7.22 3.85 0.00 1.85 1.78 0.00 3.24 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 82 E 8.62 4.49 0.00 1.96 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 2.14 1.83 0.00 83 S 7.93 4.04 0.00 3.74 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 84 W 9.01 4.31 0.00 3.63 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 85 Q 6.88 3.34 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 86 D 7.66 4.46 0.00 2.70 2.62 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 87 K 8.02 3.57 0.00 1.75 1.83 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 88 V 7.57 3.89 2.27 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 1.01 0.00 0.00 1.26 0.00 0.00 89 E 8.09 3.92 0.00 2.02 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 2.27 2.31 0.00 90 V 7.60 3.60 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 0.69 0.00 0.00 1.00 0.00 0.00 91 L 7.84 4.35 0.00 1.89 1.79 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.03 4.14 0.00 4.02 3.95 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 0.00 0.00 0.00 93 A 8.13 4.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 3.34 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 95 A 7.80 4.22 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 96 D 9.12 4.59 0.00 2.69 2.73 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 97 D 7.80 4.67 0.00 2.32 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.47 5.34 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.84 4.71 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 1.06 0.00 0.00 0.80 0.00 0.00 100 T 8.83 5.03 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 1.34 0.00 0.00 101 K 9.35 4.72 0.00 1.66 1.88 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.33 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.41 7.81 102 P 0.00 4.31 0.00 2.06 1.95 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 103 F 7.24 5.02 0.00 3.04 3.30 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 0.00 104 H 8.76 4.91 0.00 3.28 3.55 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.74 3.85 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 1.03 0.00 0.00 106 E 8.27 4.10 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 2.33 2.39 0.00 107 E 8.48 4.03 0.00 2.06 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 2.27 2.24 0.00 108 V 7.05 3.30 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 0.59 0.00 0.00 0.02 0.00 0.00 *110 A 8.07 4.38 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 0.00 111 R 7.74 4.21 0.00 1.92 1.86 0.00 3.21 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 *113 Q 8.25 4.14 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 114 A 8.04 4.15 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 0.00 115 L 7.80 4.37 0.00 1.72 1.67 0.90 0.86 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 *117 R 8.14 4.16 0.00 1.98 2.16 0.00 3.23 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 118 R 7.69 4.10 0.00 1.83 1.93 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 119 N 7.82 4.59 0.00 2.73 2.62 0.00 0.00 6.83 8.70 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 * Residues marked with a * may have inaccurate shift predictions.