NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3566 8.4449 116.7590 55.5729 31.4955 175.0491 3 L 4.3284 8.3355 123.5494 53.0256 42.6341 171.8087 4 V 4.0976 9.0204 115.9929 61.1613 33.4296 175.6037 5 F 4.8510 7.9130 117.9486 55.3416 42.0610 174.4213 6 D 4.9854 8.3261 122.2820 51.1582 43.0787 177.0963 7 K 3.8026 8.5135 119.5816 60.0781 31.9720 178.1789 8 D 4.4692 8.3822 118.4542 57.1777 40.9495 178.5217 9 G 3.9980 8.3284 106.2567 47.9987 0.0000 175.4400 10 L 3.2093 8.6076 122.9354 57.8151 42.1648 179.0135 11 S 4.0968 8.4262 115.3226 61.5519 62.7267 176.7666 12 A 3.9852 8.6014 123.5897 55.5328 18.2446 179.1768 13 Y 4.2321 8.1420 117.8384 60.7038 38.6575 178.3059 14 L 4.1207 8.2842 122.7885 58.0857 41.5020 179.7394 15 E 4.0258 7.8441 117.1261 61.1952 29.7605 180.4631 16 E 4.1956 8.0162 119.3203 59.6020 29.7067 178.9512 17 V 3.6840 7.6987 117.4882 64.2396 32.4191 175.9731 18 F 4.6706 8.8880 119.2347 54.8368 38.4382 173.5514 19 P 4.1354 0.0000 0.0000 65.0111 32.3012 180.2523 20 Q 4.0236 8.4638 119.9235 58.8555 28.1196 183.4030 21 I 4.0211 7.5990 119.4492 63.8130 36.7613 179.6554 22 Q 4.0746 7.3319 115.5213 55.9290 26.1192 176.5048 23 G 4.1585 8.8241 102.7685 46.7120 0.0000 174.1555 24 E 3.8757 7.9044 123.0841 57.4494 29.9524 176.1489 25 F 5.7001 7.8011 115.5192 55.6096 41.9139 174.9312 26 S 4.7895 9.0446 116.8984 56.6290 66.3610 173.6476 27 I 4.2500 8.3115 122.6465 60.7160 36.9287 175.6477 28 D 4.4653 8.9730 128.4776 56.8245 41.3143 177.1705 29 A 4.6011 7.4780 119.4815 50.7512 22.0406 174.4473 30 L 4.8856 8.4467 122.6945 53.1112 44.7151 175.3977 31 A 4.7593 9.1376 130.1774 50.3832 22.6655 177.1594 32 K 3.8904 8.9000 120.6794 57.6595 31.7003 176.9513 33 G 4.4112 8.2118 105.4596 45.9641 0.0000 172.4274 34 E 5.4090 8.3627 117.5922 54.7088 34.6029 178.2979 35 I 5.0762 8.6285 120.7655 59.7746 42.1423 174.0720 36 T 5.7363 8.8633 124.0165 60.7694 72.7298 172.8433 *38 R 4.5058 8.2284 121.8470 56.3765 31.7536 173.8274 39 L 4.8006 9.0484 128.8345 53.6722 43.4871 175.6757 40 N 4.9087 9.1860 126.2456 52.8295 36.6144 176.3767 41 V 3.6928 8.8871 126.4148 65.2671 32.3179 179.0210 42 Q 3.9898 8.0808 118.2255 58.2891 28.0870 183.6627 43 E 3.9863 7.9336 118.3469 58.5763 29.8400 178.1997 44 R 3.8995 7.3663 116.4670 57.6681 30.6046 176.2909 45 H 4.0033 7.4682 113.2097 56.6898 26.6292 174.5028 46 L 4.3428 7.6042 119.5656 54.2432 43.3030 178.4517 47 R 4.1193 8.3094 118.8210 55.3917 29.9233 175.5251 48 P 4.5332 0.0000 0.0000 64.5681 31.5526 176.9110 49 G 3.9126 9.0093 109.5740 45.3368 0.0000 173.6342 50 G 3.9276 7.9576 109.2397 44.9885 0.0000 173.3077 51 T 4.6838 7.8485 109.6895 59.0379 71.7011 173.7179 52 V 3.3559 8.3754 122.5764 63.0465 31.9550 175.9989 53 S 4.4810 8.5051 121.6931 57.1892 64.3155 174.4639 54 G 3.7207 8.5755 109.6341 48.3644 0.0000 173.2230 55 P 4.4657 0.0000 0.0000 65.5105 31.6535 179.2619 56 S 4.6256 8.0068 111.9950 59.0180 62.3224 176.0517 *58 F 4.4541 8.3046 123.7452 58.2494 40.8972 176.7795 59 A 4.1387 8.5330 122.3506 55.0851 18.1081 179.3869 60 L 3.4743 8.2295 118.6207 58.0768 42.2745 179.0623 61 A 3.8699 7.7658 120.2389 55.0371 18.2843 178.9856 62 D 4.1460 7.8443 116.7096 57.4983 41.3743 178.8742 63 V 3.4053 7.6806 119.9256 64.6250 31.3316 178.4716 64 S 3.9408 7.8648 115.7224 61.4908 62.7270 176.9162 65 V 3.5865 7.6764 120.7256 65.9416 31.2007 177.2738 66 Y 3.4919 8.2284 119.3103 60.5023 38.5637 177.9366 67 A 3.7462 8.3424 121.9702 55.2250 18.2142 179.4498 68 L 3.9118 7.7084 118.3060 57.9318 42.0360 179.3738 69 V 3.5571 7.6868 118.4315 65.9770 31.4115 178.0667 70 L 3.8547 7.7653 118.7160 57.6125 41.3904 179.1026 71 A 4.1168 8.4455 121.1022 55.3574 17.9379 178.9066 72 H 4.4638 7.7293 111.5215 57.4232 29.7002 176.9574 73 L 4.3429 8.1669 119.1184 55.4882 40.9631 177.9481 74 G 3.8248 8.7452 108.4353 44.5775 0.0000 173.8450 75 R 3.8748 8.7967 119.1608 60.6099 30.2108 178.9831 76 E 3.9388 8.1194 111.8617 58.7956 29.9123 179.1737 77 A 4.1160 7.5082 124.6395 52.8153 18.9250 179.2392 78 L 4.6445 8.2500 125.7952 52.7840 39.9797 172.0977 79 A 4.6655 7.8655 124.2332 51.7982 19.9174 177.8825 80 V 4.5766 8.7982 121.4533 61.0281 34.8125 174.9315 81 T 4.0485 8.9358 125.1294 64.2069 68.1682 173.8644 82 T 4.4679 8.7076 117.0940 62.4833 70.8689 174.3367 83 N 5.1499 7.8043 117.5243 51.7875 42.4145 173.6052 84 A 4.9592 8.4616 124.9414 50.4256 22.4313 175.4978 85 S 4.8185 9.0187 115.8173 56.6211 67.0355 173.0995 86 L 4.9363 8.2756 120.0074 53.2895 45.5858 175.1250 87 D 4.8037 9.0689 123.5953 52.4777 43.3118 175.2135 88 F 5.0652 8.5785 121.6781 55.8390 41.1549 175.4775 *90 R 4.2071 8.5304 122.8096 56.4134 31.4548 176.0987 91 K 4.2036 8.5473 123.4526 53.5325 32.3303 176.1731 92 P 4.4706 0.0000 0.0000 61.3433 32.3020 175.6168 93 E 4.1547 9.0732 123.2059 55.2748 29.8175 176.2356 94 S 4.4533 8.0256 120.7079 59.3738 62.8286 174.7991 95 G 3.9864 9.0883 115.9351 45.2328 0.0000 173.2363 96 R 4.5628 7.2160 117.5841 54.4786 32.0747 175.9969 97 D 4.7310 8.3483 119.6586 54.6199 42.5414 175.0790 98 L 5.1537 8.2923 121.1475 53.4901 43.9543 175.5870 99 L 5.0254 9.5055 123.7194 52.8768 45.2098 175.8477 100 G 4.3469 8.6959 109.4107 44.7393 0.0000 172.0692 101 Q 4.8050 9.2729 127.4583 54.4318 30.0408 174.8052 102 A 5.4275 8.9286 127.0834 49.8494 22.1299 175.1325 103 R 5.0591 8.7485 117.7652 54.1495 32.9178 174.2582 104 L 4.7022 8.4408 124.6825 54.8464 42.1508 176.1424 105 L 4.6028 8.9342 126.2274 55.4698 43.6377 176.9226 106 K 4.4562 7.6940 119.2475 55.1228 35.7698 174.5397 107 L 4.7903 8.5552 128.8783 53.1862 41.1415 175.8313 108 G 4.0228 9.4308 114.6571 43.3341 0.0000 172.5310 109 R 4.1564 8.6194 118.5474 59.1369 30.1228 177.7585 110 T 4.9398 7.5755 102.3847 59.6853 71.1031 173.8781 111 L 5.2892 7.8843 121.7079 53.1221 46.4564 174.7859 112 A 5.2518 9.1728 124.6568 50.1267 22.2663 175.1992 113 V 4.8037 8.9292 121.0313 61.1831 34.8806 174.6719 114 G 4.6819 8.5997 112.6654 44.8869 0.0000 170.7326 115 D 5.2336 8.7709 120.5302 51.6188 43.7292 174.0888 116 I 4.9226 8.4975 117.0240 59.9459 41.9920 172.8338 117 L 4.8987 8.7470 128.8137 52.9941 44.1599 175.1738 118 L 5.0373 8.3944 123.9408 53.0993 43.9413 175.5221 119 F 5.1966 9.2170 122.2765 55.4818 42.7425 174.6920 120 S 4.6940 8.8204 119.1942 58.0723 63.3298 173.7707 121 E 3.7829 9.0513 127.1782 57.4413 29.9171 177.3833 122 G 3.8183 8.5438 115.2304 46.2662 0.0000 173.9482 *124 E 4.2796 7.9907 118.5196 55.7221 31.7517 177.0254 125 A 4.3441 7.9963 121.8154 50.5891 19.1071 175.3201 126 P 4.0972 0.0000 0.0000 62.9143 31.9545 176.9139 127 V 4.0095 8.4880 114.6761 63.8760 32.3250 176.0455 128 A 4.9061 7.5220 119.8955 50.5405 23.0577 175.1100 129 R 4.9991 8.6118 114.5517 54.9469 33.6183 174.0771 130 S 5.3652 8.7139 113.1282 57.9179 66.5856 173.3411 131 T 5.4862 7.5053 119.1019 61.1603 72.3049 172.7140 *133 T 4.6784 8.2279 116.6883 64.4235 70.2818 172.9889 134 Y 5.2445 8.8200 122.2374 56.2360 42.3744 174.6864 135 S 5.1099 9.2743 118.2387 57.3380 66.0125 173.2162 136 I 4.7449 8.3157 123.1005 58.9450 38.9522 173.9652 137 P 4.4560 0.0000 0.0000 61.8767 31.9443 174.9454 138 P 4.4566 0.0000 0.0000 63.1795 31.5451 175.9662 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 E 8.44 4.36 0.00 2.01 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 2.13 1.91 0.00 3 L 8.34 4.33 0.00 1.67 1.74 0.88 0.37 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 4 V 9.02 4.10 1.83 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 0.61 0.00 0.00 0.82 0.00 0.00 5 F 7.91 4.85 0.00 2.95 2.81 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 6 D 8.33 4.99 0.00 2.87 2.81 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 7 K 8.51 3.80 0.00 1.85 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 D 8.38 4.47 0.00 2.77 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 9 G 8.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.61 3.21 0.00 1.74 1.73 0.33 0.91 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 11 S 8.43 4.10 0.00 4.07 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 12 A 8.60 3.99 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 13 Y 8.14 4.23 0.00 3.21 2.70 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 14 L 8.28 4.12 0.00 1.87 1.68 0.83 0.76 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 15 E 7.84 4.03 0.00 2.06 1.87 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 2.26 2.19 0.00 16 E 8.02 4.20 0.00 2.00 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 0.00 2.28 2.36 0.00 17 V 7.70 3.68 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 0.65 0.00 0.00 0.18 0.00 0.00 18 F 8.89 4.67 0.00 3.19 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 19 P 0.00 4.14 0.00 2.23 2.31 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 20 Q 8.46 4.02 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.94 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 21 I 7.60 4.02 1.87 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 1.16 0.53 0.91 0.00 0.00 22 Q 7.33 4.07 0.00 2.30 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.38 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 23 G 8.82 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 24 E 7.90 3.88 0.00 2.09 1.46 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 1.47 1.82 0.00 25 F 7.80 5.70 0.00 2.91 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 26 S 9.04 4.79 0.00 3.83 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 27 I 8.31 4.25 1.87 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 1.32 0.56 0.93 0.00 0.00 28 D 8.97 4.47 0.00 2.78 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 29 A 7.48 4.60 1.21 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 0.00 0.00 0.00 0.00 0.00 30 L 8.45 4.89 0.00 1.53 1.51 0.89 0.98 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 31 A 9.14 4.76 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 32 K 8.90 3.89 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.05 7.81 33 G 8.21 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 5.41 0.00 1.55 1.74 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 2.13 2.11 0.00 35 I 8.63 5.08 1.85 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 1.21 1.60 0.94 0.00 0.00 36 T 8.86 5.74 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 1.23 0.00 0.00 *38 R 8.23 4.51 0.00 1.96 2.06 0.00 3.18 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 L 9.05 4.80 0.00 2.02 1.79 0.64 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.19 4.91 0.00 2.90 2.72 0.00 0.00 6.30 7.70 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 41 V 8.89 3.69 2.23 0.00 0.00 0.00 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 1.08 0.00 0.00 42 Q 8.08 3.99 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.68 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 43 E 7.93 3.99 0.00 1.92 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 2.29 2.37 0.00 44 R 7.37 3.90 0.00 2.02 1.95 0.00 3.49 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 45 H 7.47 4.00 0.00 3.26 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.60 4.34 0.00 1.63 1.59 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.31 4.12 0.00 1.73 1.82 0.00 3.26 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 48 P 0.00 4.53 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 49 G 9.01 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 50 G 7.96 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 0.00 0.00 0.00 51 T 7.85 4.68 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 1.27 0.00 0.00 52 V 8.38 3.36 2.12 0.00 0.00 0.00 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 0.95 0.00 0.00 53 S 8.51 4.48 0.00 4.00 3.85 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 54 G 8.58 3.72 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 0.00 0.00 0.00 55 P 0.00 4.47 0.00 2.22 2.12 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 56 S 8.01 4.63 0.00 4.12 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 *58 F 8.30 4.45 0.00 3.30 3.39 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 59 A 8.53 4.14 1.66 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 60 L 8.23 3.47 0.00 2.05 1.75 1.00 0.87 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 61 A 7.77 3.87 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 62 D 7.84 4.15 0.00 2.44 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 63 V 7.68 3.41 1.53 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 0.01 0.00 0.00 0.37 0.00 0.00 64 S 7.86 3.94 0.00 3.95 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 65 V 7.68 3.59 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 1.11 0.00 0.00 1.00 0.00 0.00 66 Y 8.23 3.49 0.00 3.05 3.02 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 0.00 0.00 0.00 67 A 8.34 3.75 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 68 L 7.71 3.91 0.00 1.90 1.76 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.69 3.56 1.82 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 0.88 0.00 0.00 0.68 0.00 0.00 70 L 7.77 3.85 0.00 1.60 1.57 0.85 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.45 4.12 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 72 H 7.73 4.46 0.00 3.12 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.17 4.34 0.00 1.66 1.71 0.91 0.86 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 74 G 8.75 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 75 R 8.80 3.87 0.00 1.73 2.02 0.00 3.07 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.12 0.00 76 E 8.12 3.94 0.00 1.99 1.87 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 2.24 1.94 0.00 77 A 7.51 4.12 1.28 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 78 L 8.25 4.64 0.00 1.66 1.49 0.92 0.82 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 79 A 7.87 4.67 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 80 V 8.80 4.58 2.18 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 1.09 0.00 0.00 1.07 0.00 0.00 81 T 8.94 4.05 4.22 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 0.97 0.00 0.00 82 T 8.71 4.47 4.23 0.00 0.00 0.00 0.00 0.00 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 83 N 7.80 5.15 0.00 2.66 2.60 0.00 0.00 6.66 7.96 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 84 A 8.46 4.96 1.22 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 0.00 0.00 85 S 9.02 4.82 0.00 3.82 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 86 L 8.28 4.94 0.00 1.22 0.67 1.03 0.98 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 87 D 9.07 4.80 0.00 2.38 2.46 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 88 F 8.58 5.07 0.00 2.93 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 *90 R 8.53 4.21 0.00 1.74 1.93 0.00 3.23 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 91 K 8.55 4.20 0.00 1.78 1.61 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.03 7.81 92 P 0.00 4.47 0.00 2.06 2.05 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 93 E 9.07 4.15 0.00 2.04 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 2.32 2.30 0.00 94 S 8.03 4.45 0.00 3.89 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 95 G 9.09 3.99 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 0.00 0.00 0.00 96 R 7.22 4.56 0.00 1.94 1.88 0.00 3.35 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 97 D 8.35 4.73 0.00 2.62 2.68 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 98 L 8.29 5.15 0.00 1.68 1.66 0.97 0.66 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 99 L 9.51 5.03 0.00 1.70 1.62 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.70 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 0.00 0.00 0.00 0.00 101 Q 9.27 4.80 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 102 A 8.93 5.43 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 0.00 103 R 8.75 5.06 0.00 1.86 2.00 0.00 2.77 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 104 L 8.44 4.70 0.00 1.68 1.58 0.96 0.86 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 0.00 105 L 8.93 4.60 0.00 1.53 1.69 0.96 0.68 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 0.00 106 K 7.69 4.46 0.00 1.79 1.60 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 107 L 8.56 4.79 0.00 1.54 1.45 0.88 0.93 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 0.00 108 G 9.43 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.62 4.16 0.00 1.81 2.06 0.00 3.15 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 110 T 7.58 4.94 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 1.22 0.00 0.00 111 L 7.88 5.29 0.00 1.62 1.56 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.17 5.25 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 0.00 113 V 8.93 4.80 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 1.02 0.00 0.00 0.95 0.00 0.00 114 G 8.60 4.68 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 0.00 0.00 0.00 115 D 8.77 5.23 0.00 2.86 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 0.00 116 I 8.50 4.92 1.83 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 1.19 1.12 0.88 0.00 0.00 117 L 8.75 4.90 0.00 1.65 0.98 1.01 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.39 5.04 0.00 1.63 1.52 0.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.22 5.20 0.00 2.95 2.91 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 0.00 120 S 8.82 4.69 0.00 3.82 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 0.00 121 E 9.05 3.78 0.00 2.05 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 2.33 2.29 0.00 122 G 8.54 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 *124 E 7.99 4.28 0.00 2.03 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 0.00 2.21 2.27 0.00 125 A 8.00 4.34 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 0.00 126 P 0.00 4.10 0.00 1.82 1.29 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 127 V 8.49 4.01 2.29 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 0.71 0.00 0.00 0.97 0.00 0.00 128 A 7.52 4.91 1.13 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 0.00 0.00 129 R 8.61 5.00 0.00 1.86 1.84 0.00 2.71 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 130 S 8.71 5.37 0.00 3.70 3.53 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 0.00 131 T 7.51 5.49 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 1.23 0.00 0.00 *133 T 8.23 4.68 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 134 Y 8.82 5.24 0.00 2.98 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 0.00 135 S 9.27 5.11 0.00 3.91 4.02 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 0.00 0.00 0.00 136 I 8.32 4.74 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.30 0.94 0.00 0.00 137 P 0.00 4.46 0.00 2.07 2.05 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 138 P 0.00 4.46 0.00 2.18 2.03 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.