NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 N 4.6655 8.4249 119.2003 53.6301 39.1306 173.7867 -5 L 3.9279 8.1667 125.2167 54.3960 41.9581 175.4531 -4 Y 4.0303 8.6954 119.9721 57.3467 39.4829 175.0428 -3 F 4.7693 8.2114 121.8966 55.5253 40.3968 174.9052 -2 Q 4.1879 8.1621 123.6492 55.8051 29.4166 176.1030 -1 G 3.9194 8.5666 112.2980 45.8393 0.0000 173.2258 0 H 4.9036 9.2863 119.5207 55.6258 30.1960 173.1670 -4 Y 4.0303 8.6954 119.9721 57.3467 39.4829 175.0428 -3 V 4.2693 7.9414 120.7966 60.0253 33.6968 175.4052 -2 T 4.1979 7.9921 117.4492 61.9051 69.8166 174.8030 -1 I 4.1294 8.2366 123.3980 61.8393 40.6214 174.7258 0 V 4.2936 8.8963 120.5207 62.8258 34.0960 175.3670 7 Y 5.2369 9.3622 126.1053 56.3030 40.2236 174.6415 8 A 5.1310 9.3918 125.9891 50.0717 22.7400 174.4061 9 S 5.1311 8.8265 115.8032 56.4736 64.6237 173.1841 10 V 4.5801 8.6065 127.3977 60.5309 33.7708 175.4037 11 K 4.0587 9.0908 126.8713 57.0429 32.5689 178.1538 12 T 3.8464 8.7918 113.9225 64.6194 68.6619 174.5209 13 D 4.6971 7.9740 118.5365 53.0623 39.8226 176.4426 14 K 4.2399 8.0116 118.3347 56.2622 33.1802 178.0566 15 T 4.0089 7.9352 112.9476 64.9760 68.5909 176.2402 16 E 3.9418 8.0693 120.6668 59.0268 29.6262 178.8094 17 A 3.7871 7.6184 120.2784 55.0417 18.2300 179.2463 18 F 4.3334 8.1140 119.2890 61.2748 39.3959 177.0833 19 K 3.7562 8.1715 119.2583 59.5567 31.7797 178.3357 20 E 3.9022 8.0414 117.7729 59.2240 29.6722 178.1708 21 A 4.2707 8.0308 119.6641 55.7423 18.7856 179.5190 22 T 4.0423 8.1582 114.3633 66.3172 68.2832 176.7669 23 R 3.8131 7.9301 118.6858 57.5909 30.4004 177.2110 *25 N 4.4779 8.0248 116.4445 53.6106 40.8601 175.5597 26 H 3.9422 8.5835 117.5760 59.5866 29.6070 176.8761 27 E 3.8448 8.1256 118.8477 59.4975 29.5760 179.1346 28 Q 3.9762 7.6712 117.4359 58.7959 28.9383 178.5170 29 S 4.5000 8.1346 118.1355 60.7055 62.4493 176.3536 30 I 4.2659 7.2478 115.5482 62.2761 37.3918 177.3132 31 R 4.3042 7.4548 118.5342 55.4660 31.0271 176.3566 32 E 4.1641 7.5362 120.2965 55.2029 30.1611 174.7243 33 P 4.3589 0.0000 0.0000 64.2534 31.8509 176.9933 34 G 4.0558 8.9852 109.8476 46.3836 0.0000 172.7332 35 N 4.2421 7.9500 118.8414 52.8899 40.0084 173.5062 *37 R 4.2442 8.0773 118.3335 55.5528 31.7260 175.7131 38 F 4.7687 8.0522 122.5570 57.2126 38.5631 173.8984 39 D 4.7170 8.6953 121.6493 54.3088 42.7747 177.2650 40 I 4.9413 8.3453 123.0704 59.7150 39.0996 174.9370 41 L 4.9767 9.5159 127.1531 52.8277 45.4319 175.2341 42 Q 4.7655 8.5041 122.4393 53.7943 31.3756 175.0600 43 S 4.1769 8.7047 121.5188 58.8026 62.3020 174.4953 44 A 4.1209 8.7790 129.2035 54.5331 18.5576 177.9606 45 D 4.5279 7.8366 114.7635 55.5682 41.8464 176.4171 46 D 4.4171 7.5802 118.8750 52.2097 42.7156 173.4570 47 P 4.2868 0.0000 0.0000 64.3170 31.5433 176.9285 48 T 4.3290 8.2613 109.4643 62.1099 69.6602 173.8932 49 R 5.0900 7.5515 122.9544 54.7217 32.3793 175.2606 50 F 5.3873 9.5279 121.9323 55.7135 43.8366 174.0156 51 V 5.4957 9.2257 120.3433 61.3303 34.9783 174.1080 52 L 4.9326 8.5670 126.7310 53.2538 43.7548 175.3894 53 Y 4.2859 9.0044 127.0817 56.2510 39.7220 174.1081 54 E 4.3454 8.1295 126.6528 54.3876 31.1674 175.4129 55 A 5.1856 8.6308 126.9259 50.2480 21.4585 174.7670 56 Y 4.8409 8.5076 117.9407 56.0069 41.7885 175.6357 57 K 4.3239 9.2218 122.3878 59.3389 32.7755 177.4426 58 T 4.7629 7.9289 107.6100 58.6389 72.2659 174.3886 59 R 2.7079 8.6034 121.8484 59.2668 29.8567 178.4467 60 K 3.6978 7.7974 118.6175 59.4999 31.9265 177.9965 61 D 4.2334 8.0989 118.9073 57.4961 40.6832 178.8546 62 A 2.5800 7.2762 120.1394 54.6011 18.3717 179.4906 63 A 3.7075 7.7948 119.1666 55.2095 18.4494 179.7311 64 A 3.8681 7.8091 119.1091 55.2443 18.3030 179.0706 65 H 3.9491 7.5808 117.1800 59.5748 29.6168 177.2549 66 K 3.3603 7.5645 117.8472 57.7944 31.9014 177.9409 67 E 4.5478 7.5641 117.6654 55.4634 30.4316 176.6494 68 T 4.1774 7.1345 111.0640 60.9588 71.1310 175.3831 69 A 3.9977 8.4436 124.4613 55.7058 18.4509 179.8994 70 H 4.2184 8.1362 113.2645 58.8177 28.5697 177.0012 71 Y 4.0836 7.5116 121.6888 60.4943 38.6620 177.8624 72 L 3.8092 7.9534 120.0745 58.1817 41.6928 179.8486 73 T 3.8714 7.9529 109.5356 64.2975 68.7221 176.5557 74 W 3.9686 8.4996 131.5986 60.1509 30.5487 177.7387 75 R 3.2958 8.1644 118.9824 59.4324 29.1761 177.9476 76 D 4.1039 7.5593 116.3538 57.5144 41.2682 177.9782 77 T 3.5564 7.5590 115.4657 66.2188 68.7224 176.4068 78 V 2.8751 7.0499 112.3742 61.2540 31.5892 177.9025 79 A 3.7498 6.6711 121.9653 55.4549 18.0531 178.5668 80 D 4.5335 7.5048 111.2853 55.3170 41.6469 177.5284 81 W 4.7165 7.8916 122.4616 55.1030 27.4949 176.4413 *83 A 4.5354 7.7700 122.3234 51.5538 20.4070 176.6163 84 E 4.7518 7.7503 111.1932 54.0531 32.0902 173.2029 85 P 4.3323 0.0000 0.0000 63.1064 31.6489 176.4897 86 R 4.5090 8.5693 120.4533 56.5404 31.1849 175.9767 87 K 4.7341 9.0865 120.5924 54.6555 35.7139 175.3351 88 G 4.8956 8.9515 111.5630 44.5165 0.0000 172.6554 89 V 4.6186 8.5518 123.5318 60.9881 34.1239 174.5449 90 I 4.7636 8.1942 128.2040 60.5187 38.3655 174.6527 91 Y 4.6794 8.2244 122.4871 56.2156 42.1017 174.5774 92 G 4.1359 8.8001 108.7357 44.5569 0.0000 173.3322 93 G 3.9521 8.6732 111.6697 45.8173 0.0000 173.3488 94 L 4.2910 8.6920 125.5396 56.3977 42.6673 176.8600 95 Y 4.9022 7.3364 113.4796 55.2672 41.8509 173.2335 96 P 4.6203 0.0000 0.0000 62.8012 32.2569 176.1783 97 T 4.0663 8.6385 110.1197 61.0390 70.1295 175.0082 98 G 4.2932 7.8321 110.1359 45.2390 0.0000 173.9354 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 -6 N 8.42 4.67 0.00 2.72 2.84 0.00 0.00 7.00 6.89 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 -5 L 8.17 3.93 0.00 1.36 1.33 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.70 4.03 0.00 3.18 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 -3 F 8.21 4.77 0.00 3.16 2.94 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 -2 Q 8.16 4.19 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 -1 G 8.57 3.92 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 0.00 0.00 0.00 0 H 9.29 4.90 0.00 3.10 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.70 4.03 0.00 3.18 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 -3 V 7.94 4.27 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 1.14 0.00 0.00 0.93 0.00 0.00 -2 T 7.99 4.20 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 1.21 0.00 0.00 -1 I 8.24 4.13 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 1.34 0.58 0.91 0.00 0.00 0 V 8.90 4.29 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 0.93 0.00 0.00 0.93 0.00 0.00 7 Y 9.36 5.24 0.00 2.97 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 8 A 9.39 5.13 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 9 S 8.83 5.13 0.00 3.90 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 10 V 8.61 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 0.85 0.00 0.00 0.05 0.00 0.00 11 K 9.09 4.06 0.00 1.74 1.76 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.65 7.81 12 T 8.79 3.85 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 1.22 0.00 0.00 13 D 7.97 4.70 0.00 2.76 2.78 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 14 K 8.01 4.24 0.00 1.65 1.20 0.00 0.61 0.00 0.00 1.16 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.18 1.32 7.81 15 T 7.94 4.01 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 1.38 0.00 0.00 16 E 8.07 3.94 0.00 1.96 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 2.41 2.38 0.00 17 A 7.62 3.79 0.22 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 18 F 8.11 4.33 0.00 3.21 3.06 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 19 K 8.17 3.76 0.00 2.00 2.05 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 20 E 8.04 3.90 0.00 2.09 2.13 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 2.35 2.42 0.00 21 A 8.03 4.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 4.04 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 1.13 0.00 0.00 23 R 7.93 3.81 0.00 1.99 2.10 0.00 3.14 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 *25 N 8.02 4.48 0.00 2.61 2.73 0.00 0.00 6.71 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 26 H 8.58 3.94 0.00 3.35 3.58 0.00 5.84 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 27 E 8.13 3.84 0.00 1.90 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 2.37 2.61 0.00 28 Q 7.67 3.98 0.00 1.42 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 29 S 8.13 4.50 0.00 2.72 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 30 I 7.25 4.27 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.46 0.84 0.00 0.00 31 R 7.45 4.30 0.00 1.88 1.96 0.00 3.11 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 32 E 7.54 4.16 0.00 2.30 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 2.42 2.55 0.00 33 P 0.00 4.36 0.00 2.06 2.02 0.00 3.76 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 2.04 2.10 0.00 34 G 8.99 4.06 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 0.00 35 N 7.95 4.24 0.00 2.69 2.68 0.00 0.00 7.13 6.98 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 *37 R 8.08 4.24 0.00 1.90 2.04 0.00 3.24 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 38 F 8.05 4.77 0.00 2.89 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 39 D 8.70 4.72 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.94 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 1.04 0.00 0.00 41 L 9.52 4.98 0.00 1.56 1.53 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.50 4.77 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.87 0.00 0.00 0.00 0.00 0.00 1.96 1.46 0.00 43 S 8.70 4.18 0.00 3.82 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 44 A 8.78 4.12 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 45 D 7.84 4.53 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 46 D 7.58 4.42 0.00 2.58 2.43 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 47 P 0.00 4.29 0.00 2.19 2.11 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 1.96 1.93 0.00 48 T 8.26 4.33 4.50 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 1.22 0.00 0.00 49 R 7.55 5.09 0.00 1.82 1.87 0.00 3.05 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 50 F 9.53 5.39 0.00 3.02 3.21 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 51 V 9.23 5.50 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 0.87 0.00 0.00 0.88 0.00 0.00 52 L 8.57 4.93 0.00 1.42 1.13 1.20 0.70 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 53 Y 9.00 4.29 0.00 2.90 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 54 E 8.13 4.35 0.00 1.77 1.79 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 1.47 2.13 0.00 55 A 8.63 5.19 0.91 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 56 Y 8.51 4.84 0.00 2.89 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 57 K 9.22 4.32 0.00 1.84 1.94 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.59 7.81 58 T 7.93 4.76 4.21 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 1.23 0.00 0.00 59 R 8.60 2.71 0.00 1.70 1.76 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.00 60 K 7.80 3.70 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 D 8.10 4.23 0.00 2.91 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 62 A 7.28 2.58 1.01 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 0.00 0.00 63 A 7.79 3.71 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 64 A 7.81 3.87 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 65 H 7.58 3.95 0.00 3.07 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.56 3.36 0.00 1.65 1.66 0.00 1.33 0.00 0.00 1.17 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.46 7.81 67 E 7.56 4.55 0.00 1.89 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 2.23 0.00 68 T 7.13 4.18 4.08 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 1.24 0.00 0.00 69 A 8.44 4.00 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 70 H 8.14 4.22 0.00 3.36 3.55 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.51 4.08 0.00 2.79 3.04 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 72 L 7.95 3.81 0.00 1.86 1.69 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.95 3.87 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 1.25 0.00 0.00 74 W 8.50 3.97 0.00 3.39 3.38 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 0.00 75 R 8.16 3.30 0.00 1.41 1.76 0.00 3.19 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 76 D 7.56 4.10 0.00 2.57 2.65 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 0.00 0.00 0.00 0.00 77 T 7.56 3.56 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 0.91 0.00 0.00 78 V 7.05 2.88 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 0.25 0.00 0.00 -0.27 0.00 0.00 79 A 6.67 3.75 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 80 D 7.50 4.53 0.00 2.51 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 81 W 7.89 4.72 0.00 3.47 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 *83 A 7.77 4.54 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 84 E 7.75 4.75 0.00 2.07 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 2.22 2.33 0.00 85 P 0.00 4.33 0.00 2.25 2.15 0.00 3.80 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 2.02 2.03 0.00 86 R 8.57 4.51 0.00 1.90 2.12 0.00 3.58 0.00 0.00 3.64 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 87 K 9.09 4.73 0.00 1.90 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 88 G 8.95 4.90 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 0.00 89 V 8.55 4.62 2.48 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 0.79 0.00 0.00 1.15 0.00 0.00 90 I 8.19 4.76 1.70 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 1.31 0.97 0.47 0.00 0.00 91 Y 8.22 4.68 0.00 2.75 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 92 G 8.80 4.14 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 0.00 0.00 0.00 93 G 8.67 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 0.00 0.00 0.00 94 L 8.69 4.29 0.00 1.44 1.15 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.34 4.90 0.00 2.95 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 96 P 0.00 4.62 0.00 2.22 2.11 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 97 T 8.64 4.07 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 1.20 0.00 0.00 98 G 7.83 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.