NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3467 0.0000 0.0000 62.6993 32.6452 174.8262 2 Q 4.3457 8.4580 119.6491 53.7669 30.3297 172.9720 3 I 4.4248 8.1255 126.2908 59.6276 40.2077 175.2735 4 T 4.3601 8.3878 115.8874 61.0410 70.1359 174.1456 5 L 4.6965 7.5648 117.8129 54.2490 42.5046 178.2751 6 W 4.2474 8.0402 121.3706 58.6636 29.1961 176.2502 7 K 4.7592 7.6877 115.3084 53.6838 34.9192 175.8369 8 R 3.9709 8.4564 119.5736 56.4728 30.7676 176.4669 9 P 4.6657 0.0000 0.0000 62.0634 29.6075 174.5930 10 L 4.8961 7.6571 123.6526 55.0115 43.3664 177.0974 11 V 4.6187 8.8144 115.3492 59.9649 36.6999 174.4045 12 T 4.8585 8.4619 118.9120 62.9612 69.4535 174.4582 13 I 4.8560 8.9790 119.0422 59.0389 41.5537 174.0374 14 R 5.0524 8.7111 123.3876 54.6316 32.8101 174.4185 15 I 4.5596 8.7967 126.3608 60.0938 41.7595 174.9260 16 G 4.0531 9.8955 117.1938 46.5107 0.0000 174.4746 17 G 3.9120 8.5266 107.3223 44.7617 0.0000 173.8264 18 Q 4.5834 7.8449 121.1467 54.0859 30.9076 174.0374 19 L 4.9136 8.2149 123.9224 54.3603 42.8836 176.1484 20 K 4.7149 9.0155 121.4009 54.8841 37.1826 174.5385 21 E 5.0957 8.6897 122.0643 55.0222 31.3043 174.7732 22 A 4.8689 8.9104 126.4221 50.4927 23.5970 174.4682 23 L 4.8085 8.8340 122.5547 53.4952 43.8385 175.7117 24 L 4.3184 8.7163 127.4935 55.0779 42.2230 176.5882 25 D 4.8453 9.0458 125.3480 52.2345 42.0693 176.2658 26 T 4.0300 8.5863 115.2066 63.3775 69.2476 176.0578 27 G 3.7007 7.9083 109.9280 46.1534 0.0000 172.9897 28 A 4.5884 7.7825 123.4202 50.3324 20.6497 178.0006 29 D 4.3880 8.9263 122.7643 56.7746 42.1367 175.9976 30 D 5.5156 7.8763 115.7601 51.5959 45.6613 174.9016 31 T 4.6690 8.3565 116.4104 62.4349 70.5528 174.1431 32 V 4.8484 8.7238 125.8923 61.1878 34.7437 174.1778 33 I 5.1020 8.8223 128.7287 58.8630 40.6082 175.1503 34 E 4.6835 9.3290 124.0776 55.6397 30.0773 176.4066 35 E 3.8654 8.6339 121.1542 56.8378 30.3220 176.0117 *37 N 4.5246 8.5354 121.7213 53.1318 39.8861 173.9040 38 L 4.6825 7.8784 121.1322 51.8496 45.1748 174.8141 39 P 4.5247 0.0000 0.0000 63.7507 32.9963 177.8807 40 G 4.0114 8.2074 108.8382 44.7852 0.0000 175.8487 *42 W 4.6300 8.2639 121.0515 55.8804 29.2656 173.3392 43 K 4.7379 8.5779 119.1961 53.6372 35.1174 174.3197 44 P 5.0502 0.0000 0.0000 63.2798 32.0202 176.1604 45 K 4.3416 8.7493 123.0933 55.6092 37.2966 175.3791 *47 I 4.2490 8.4638 117.4497 61.7621 38.7240 174.7988 48 G 3.4079 8.1363 109.2318 43.4331 0.0000 173.3660 49 G 3.8869 8.1430 109.3261 44.2007 0.0000 173.0582 50 I 3.5571 8.6022 118.5663 63.3761 38.0946 177.9253 51 G 3.9124 8.8391 106.2354 44.7982 0.0000 173.0574 52 G 3.7564 6.4826 107.0382 44.4554 0.0000 172.5875 53 F 5.1523 8.7041 120.2095 55.6495 41.4026 174.5801 54 I 4.8290 8.3578 116.6846 59.0821 40.8086 174.6485 55 K 4.7378 8.5771 122.0591 55.7912 33.3788 176.5188 56 V 4.6502 8.8989 116.6201 59.8600 36.9480 174.2449 57 R 4.8039 8.7983 121.4425 54.8844 31.9320 175.4127 58 Q 4.7595 9.3084 126.4227 55.0723 30.7041 173.6127 59 Y 5.1118 9.0966 124.6630 56.4520 40.5534 174.7834 60 D 5.0832 8.8952 123.2686 53.0444 43.3934 175.8188 61 Q 3.5002 8.4437 116.8128 57.2559 26.2456 173.9261 62 I 4.4037 7.9029 118.8535 59.2740 39.1589 174.7206 63 P 4.9636 0.0000 0.0000 62.5564 32.2211 176.0886 64 V 4.5275 8.9792 123.8838 61.1751 35.1433 173.3445 65 E 4.9310 9.0735 129.1764 54.3462 31.4072 176.1976 66 I 4.5607 8.8770 129.3745 61.3178 37.9380 177.2939 *68 G 3.9098 8.1413 107.4816 45.1349 0.0000 172.8519 69 H 4.8551 8.3292 118.3798 53.6764 30.7079 173.8868 70 K 4.6855 8.5040 123.2388 56.0747 33.0359 176.0954 71 A 4.9395 8.9685 124.3739 50.4585 23.2922 175.2695 72 I 4.7946 9.0669 120.3106 60.6157 40.6050 175.1157 73 G 4.0719 8.3180 114.4864 46.6457 0.0000 171.3929 74 T 4.8365 8.7967 117.5099 63.3708 69.5925 174.5841 75 V 4.4450 8.9813 125.9051 61.0957 34.6318 174.0160 76 L 5.0869 8.9672 128.2936 53.4674 43.8840 175.5737 77 V 4.7310 8.7595 123.7014 61.0871 34.2149 175.4042 78 G 3.7209 8.0900 114.9426 45.5438 0.0000 170.3158 79 P 4.6654 0.0000 0.0000 62.3451 30.4321 176.4177 80 T 4.1207 7.3667 113.4763 61.8471 68.5673 173.2399 81 P 4.3386 0.0000 0.0000 64.9361 31.7088 177.1485 82 V 4.4348 7.0041 113.1235 60.6100 34.7351 174.2446 83 N 4.8114 8.7634 124.4521 53.4290 39.6977 173.8568 84 I 4.9886 8.9517 117.3571 59.1406 41.3071 174.3971 85 I 4.4589 8.8977 127.3456 60.3176 38.5652 175.6371 86 G 4.6223 8.3126 115.9062 43.7826 0.0000 173.9570 87 R 4.0677 8.9198 118.5056 58.9285 30.1445 179.1984 88 N 4.3553 8.1773 115.3448 55.4064 37.4505 176.7545 89 L 4.3587 7.7811 117.6581 56.2014 42.5380 178.5990 90 L 4.0115 8.0899 119.5771 58.0616 41.6431 179.6416 91 T 4.0099 8.0621 109.6459 64.9192 68.4130 176.6801 92 Q 4.0800 7.7183 120.1811 58.0678 28.7952 177.5574 93 I 4.4044 7.2417 110.3775 59.4024 38.0877 172.1971 94 G 3.6122 7.4963 116.7629 45.5229 0.0000 173.4391 *96 T 4.1155 8.0326 114.5101 61.0937 69.9116 173.1525 97 L 4.6947 8.1553 121.5640 53.5591 43.2909 176.1923 98 N 5.0444 8.4097 118.6381 51.8222 42.6492 174.5521 99 F 4.4994 8.1566 115.9381 57.4762 37.4929 173.8777 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 1 P 0.00 4.35 0.00 2.20 2.16 0.00 3.66 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 1.88 1.97 0.00 2 Q 8.46 4.35 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 3 I 8.13 4.42 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 1.48 0.80 0.91 0.00 0.00 4 T 8.39 4.36 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 1.33 0.00 0.00 5 L 7.56 4.70 0.00 1.28 1.46 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.04 4.25 0.00 3.30 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 7 K 7.69 4.76 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.53 7.81 8 R 8.46 3.97 0.00 1.80 1.88 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 9 P 0.00 4.67 0.00 2.10 2.19 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 10 L 7.66 4.90 0.00 1.55 1.63 0.92 0.92 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 11 V 8.81 4.62 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 0.75 0.00 0.00 0.93 0.00 0.00 12 T 8.46 4.86 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 13 I 8.98 4.86 1.94 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 1.27 0.72 0.91 0.00 0.00 14 R 8.71 5.05 0.00 1.87 1.77 0.00 3.06 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 15 I 8.80 4.56 1.84 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 1.08 1.33 0.87 0.00 0.00 16 G 9.90 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.53 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 18 Q 7.84 4.58 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 19 L 8.21 4.91 0.00 1.56 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.02 4.71 0.00 1.62 1.61 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.34 7.81 21 E 8.69 5.10 0.00 1.96 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 2.20 2.29 0.00 22 A 8.91 4.87 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 23 L 8.83 4.81 0.00 1.73 1.65 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.72 4.32 0.00 1.55 1.61 0.91 1.18 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 25 D 9.05 4.85 0.00 2.85 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 26 T 8.59 4.03 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 1.20 0.00 0.00 27 G 7.91 3.70 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 0.00 0.00 0.00 28 A 7.78 4.59 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 29 D 8.93 4.39 0.00 2.62 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 30 D 7.88 5.52 0.00 2.55 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 31 T 8.36 4.67 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 32 V 8.72 4.85 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 1.04 0.00 0.00 0.92 0.00 0.00 33 I 8.82 5.10 1.83 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 1.26 0.81 0.87 0.00 0.00 34 E 9.33 4.68 0.00 1.89 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 2.35 2.09 0.00 35 E 8.63 3.87 0.00 1.94 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 2.25 2.37 0.00 *37 N 8.54 4.52 0.00 2.75 2.79 0.00 0.00 6.76 7.85 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 38 L 7.88 4.68 0.00 0.27 0.98 0.40 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.52 0.00 2.07 2.01 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 40 G 8.21 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 0.00 0.00 0.00 *42 W 8.26 4.63 0.00 2.94 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 0.00 0.00 0.00 43 K 8.58 4.74 0.00 1.74 1.71 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.29 7.81 44 P 0.00 5.05 0.00 2.18 2.29 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 45 K 8.75 4.34 0.00 1.71 1.65 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.77 7.81 *47 I 8.46 4.25 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 1.37 0.71 0.94 0.00 0.00 48 G 8.14 3.41 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 49 G 8.14 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 50 I 8.60 3.56 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.87 0.00 0.00 51 G 8.84 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 52 G 6.48 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 53 F 8.70 5.15 0.00 3.01 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 54 I 8.36 4.83 1.88 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 1.21 0.67 0.91 0.00 0.00 55 K 8.58 4.74 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.50 7.81 56 V 8.90 4.65 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 0.75 0.00 0.00 0.96 0.00 0.00 57 R 8.80 4.80 0.00 1.38 0.95 0.00 2.44 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 58 Q 9.31 4.76 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 Y 9.10 5.11 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 60 D 8.90 5.08 0.00 2.61 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 61 Q 8.44 3.50 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 62 I 7.90 4.40 1.99 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 1.42 1.28 0.87 0.00 0.00 63 P 0.00 4.96 0.00 1.93 1.99 0.00 3.62 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 2.09 0.00 64 V 8.98 4.53 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 0.99 0.00 0.00 65 E 9.07 4.93 0.00 2.09 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 2.23 2.27 0.00 66 I 8.88 4.56 1.88 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 1.23 0.70 0.91 0.00 0.00 *68 G 8.14 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 69 H 8.33 4.86 0.00 3.34 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.50 4.69 0.00 1.65 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 A 8.97 4.94 1.24 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 0.00 0.00 0.00 72 I 9.07 4.79 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.96 0.00 0.00 73 G 8.32 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 0.00 0.00 0.00 74 T 8.80 4.84 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 1.34 0.00 0.00 75 V 8.98 4.44 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 1.04 0.00 0.00 0.94 0.00 0.00 76 L 8.97 5.09 0.00 1.71 1.58 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.76 4.73 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 0.96 0.00 0.00 0.90 0.00 0.00 78 G 8.09 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 79 P 0.00 4.67 0.00 2.18 2.10 0.00 3.86 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 80 T 7.37 4.12 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 1.26 0.00 0.00 81 P 0.00 4.34 0.00 2.06 2.08 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 82 V 7.00 4.43 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 0.78 0.00 0.00 0.92 0.00 0.00 83 N 8.76 4.81 0.00 2.81 2.72 0.00 0.00 6.63 7.40 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 84 I 8.95 4.99 1.96 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 1.34 0.94 1.00 0.00 0.00 85 I 8.90 4.46 1.86 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 1.15 0.87 0.90 0.00 0.00 86 G 8.31 4.62 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 0.00 0.00 0.00 87 R 8.92 4.07 0.00 1.86 2.00 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 88 N 8.18 4.36 0.00 2.90 3.10 0.00 0.00 6.80 6.72 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 89 L 7.78 4.36 0.00 1.70 1.74 0.92 0.68 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 90 L 8.09 4.01 0.00 1.68 1.71 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.06 4.01 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 1.28 0.00 0.00 92 Q 7.72 4.08 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 93 I 7.24 4.40 1.82 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 1.71 0.51 0.93 0.00 0.00 94 G 7.50 3.61 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 0.00 0.00 0.00 *96 T 8.03 4.12 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 1.20 0.00 0.00 97 L 8.16 4.69 0.00 1.72 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.41 5.04 0.00 2.66 2.64 0.00 0.00 6.79 7.45 0.00 0.00 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 F 8.16 4.50 0.00 3.07 2.90 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 * Residues marked with a * may have inaccurate shift predictions.