NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 F 4.6342 8.3244 119.0243 56.4153 39.1284 175.9162 10 K 3.8127 9.0069 118.2288 59.6531 32.3443 176.3976 11 F 5.2794 7.6490 115.8612 55.6058 43.2400 173.4557 12 H 5.1916 8.8222 116.8810 53.2775 31.2932 173.3481 13 S 4.3943 8.7191 116.7486 60.8248 63.0737 174.2243 14 G 4.0180 8.9613 113.0421 45.2443 0.0000 173.8060 15 E 3.9813 7.8524 121.4550 56.0234 30.6979 175.9415 16 K 4.6443 8.5567 128.3982 56.3294 33.3172 175.9479 17 V 4.5337 9.0504 119.6457 60.2268 37.1306 173.3192 18 L 5.1310 8.5331 120.9215 53.4279 44.1246 175.8061 19 C 5.1702 9.0738 122.8197 57.3702 35.1361 173.2906 20 F 4.6632 9.1603 125.1325 57.1764 39.4299 174.6511 21 E 4.0598 8.8707 123.0779 56.7024 29.1755 175.5762 22 P 4.4683 0.0000 0.0000 64.3303 32.2703 175.6008 23 D 4.6435 8.1240 119.7344 51.9995 40.4082 174.4365 24 P 4.2133 0.0000 0.0000 66.0214 30.9674 177.3678 25 T 4.2022 8.0066 106.1427 61.9253 69.2128 174.4288 26 K 4.5040 7.8912 121.7929 54.0391 34.4090 175.8474 27 A 3.8295 8.4905 123.0214 52.7307 18.4132 177.7150 28 R 4.0739 8.5474 122.8212 56.6479 29.5818 175.4692 29 V 4.5448 7.9996 117.5755 59.4781 36.7927 174.2110 30 L 4.7710 8.0189 121.0660 53.3241 43.3078 175.8950 31 Y 4.7741 8.7453 122.0690 56.0780 40.7766 175.0923 32 D 4.8465 8.8006 122.5678 54.8560 42.3603 175.3391 33 A 4.9701 9.3261 123.8035 51.0878 23.6769 174.4436 34 K 4.8508 9.1277 119.1232 54.8731 36.1743 175.3782 35 I 4.1271 8.8901 128.5854 61.5193 37.4753 176.5915 36 V 3.8127 8.5744 128.0858 64.7865 32.4414 175.7699 37 D 4.8189 7.7093 118.2121 52.8876 44.5982 174.0625 38 V 5.1022 8.4332 124.2171 61.6262 34.6528 174.6213 39 I 4.5861 8.4258 124.7437 59.6912 41.8037 173.8613 40 V 3.9061 8.5871 130.1980 61.8330 32.2378 175.3749 41 G 4.3973 9.0381 114.5987 44.2916 0.0000 171.0733 42 K 5.1224 8.2630 118.1973 54.5747 35.8431 176.2609 43 D 4.6804 8.9818 124.0757 52.4540 40.3619 177.1497 44 E 3.5415 8.6645 118.2491 58.6366 29.4257 178.2998 45 K 4.4423 8.4004 117.5304 56.0034 32.4678 177.4450 46 G 3.9525 8.8848 107.7483 45.4244 0.0000 175.0068 47 R 4.1079 8.6067 120.3259 55.7275 31.3995 176.2888 48 K 4.7317 8.6363 122.9356 56.5676 32.7396 176.4271 49 I 4.7695 8.5260 118.9376 58.2169 40.8631 173.0904 50 P 4.7934 0.0000 0.0000 62.6667 32.3954 175.1339 51 E 4.8271 9.3321 121.5684 54.8083 33.3344 174.5318 52 Y 5.3032 8.8363 119.7901 56.2612 41.7630 174.2614 53 L 4.1092 9.4077 128.1553 53.9044 43.5531 175.2075 54 I 4.6395 8.5071 120.3194 59.1978 40.5649 173.6951 55 H 5.3948 8.6162 125.7376 53.8775 31.9716 173.4868 56 F 5.0526 8.2100 124.5873 55.8848 40.0027 175.1384 57 N 4.4966 8.6197 122.6988 55.1071 38.6577 175.8503 58 G 3.8640 9.2229 111.4018 44.6978 0.0000 173.0672 59 W 4.6737 7.7859 119.1106 54.6008 31.6143 175.4554 60 N 4.9596 8.8229 118.8119 51.6441 38.3983 176.2112 61 R 4.4581 8.6619 115.0408 58.7743 29.3391 178.1637 62 S 4.3323 9.2666 112.8527 59.2556 63.2241 174.5883 63 W 4.5795 8.3352 120.7249 56.6394 29.8678 176.0987 64 D 4.7598 8.0753 120.5305 54.8342 41.3849 175.7894 65 R 4.9518 8.6590 120.9687 54.1071 34.6159 174.4749 66 W 4.9758 8.8530 122.0569 56.3893 30.2127 175.6388 67 A 4.9714 9.3443 124.9785 50.0349 22.6279 175.5358 68 A 4.4991 8.5750 122.5545 51.4050 19.8480 178.2892 69 E 4.3911 9.2364 121.1937 59.7897 29.7559 179.0909 70 D 4.5583 8.4145 117.0295 57.4610 41.0133 176.9856 71 H 4.9416 8.8519 114.3996 55.5569 29.3377 174.0639 72 V 4.6651 7.8639 120.1049 60.9033 33.5838 174.5948 73 L 5.0099 8.9174 127.7912 52.4512 44.7312 176.0022 74 R 4.2417 8.9174 123.2882 56.7256 30.6957 177.1696 75 D 4.6230 8.7934 126.0993 53.9896 39.3066 175.1299 76 T 4.7308 7.6089 116.8504 58.9270 72.2288 173.0009 77 D 4.3832 8.6104 124.5018 57.8444 40.7364 179.1695 78 E 4.0149 8.0960 118.2685 59.1261 29.5541 178.6201 79 N 4.4800 8.0619 115.7573 55.4223 38.8241 177.6419 80 R 3.8954 7.7890 119.9743 59.1862 30.4112 178.8021 81 R 3.9206 8.0930 117.9703 59.4399 30.0577 178.8642 82 L 4.0173 7.6590 119.9820 57.7483 42.0712 178.6015 83 Q 3.8364 8.0902 119.8446 59.3877 28.9796 178.7829 84 R 3.9257 8.0196 118.9370 59.0014 29.7962 178.9979 85 K 3.9858 7.9421 119.1837 59.3367 32.1793 178.8569 86 L 4.0602 8.1436 119.0157 57.1751 41.5532 179.1498 87 A 3.9346 7.8922 121.1062 55.1374 18.3431 179.9219 88 R 3.9179 8.0662 116.6906 59.0260 29.8739 179.4483 89 K 3.9251 7.5767 117.1728 59.5583 32.2273 179.0353 90 A 4.1190 7.8777 119.4428 55.2058 18.2474 179.7693 91 V 3.6894 7.5445 110.0109 63.9033 31.9196 176.2787 92 A 4.1639 7.7338 124.8134 52.7533 18.1774 177.1711 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 *9 F 8.32 4.63 0.00 2.32 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 0.00 0.00 0.00 10 K 9.01 3.81 0.00 1.64 1.44 0.00 1.53 0.00 0.00 1.36 0.00 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.43 1.20 7.81 11 F 7.65 5.28 0.00 2.53 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 12 H 8.82 5.19 0.00 3.37 3.41 0.00 5.29 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 13 S 8.72 4.39 0.00 3.93 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 14 G 8.96 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 15 E 7.85 3.98 0.00 1.83 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 2.33 2.33 0.00 16 K 8.56 4.64 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.45 7.81 17 V 9.05 4.53 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 0.45 0.00 0.00 0.64 0.00 0.00 18 L 8.53 5.13 0.00 1.46 1.39 0.88 0.70 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 19 C 9.07 5.17 0.00 2.84 2.84 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 0.00 0.00 0.00 20 F 9.16 4.66 0.00 2.94 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 21 E 8.87 4.06 0.00 2.12 2.04 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 2.51 2.58 0.00 22 P 0.00 4.47 0.00 2.32 2.37 0.00 3.44 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.27 0.00 23 D 8.12 4.64 0.00 2.74 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 24 P 0.00 4.21 0.00 2.23 2.22 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 25 T 8.01 4.20 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 1.22 0.00 0.00 26 K 7.89 4.50 0.00 1.86 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.47 7.81 27 A 8.49 3.83 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 28 R 8.55 4.07 0.00 1.81 1.95 0.00 3.06 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 29 V 8.00 4.54 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.62 0.00 0.00 30 L 8.02 4.77 0.00 1.23 1.30 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.75 4.77 0.00 3.08 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 32 D 8.80 4.85 0.00 2.78 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 33 A 9.33 4.97 1.02 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 34 K 9.13 4.85 0.00 1.70 1.55 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.35 7.81 35 I 8.89 4.13 1.96 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.98 0.00 0.00 36 V 8.57 3.81 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 0.61 0.00 0.00 0.83 0.00 0.00 37 D 7.71 4.82 0.00 2.70 2.40 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 38 V 8.43 5.10 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 0.70 0.00 0.00 1.19 0.00 0.00 39 I 8.43 4.59 2.04 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 0.71 0.00 0.00 40 V 8.59 3.91 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 0.71 0.00 0.00 0.90 0.00 0.00 41 G 9.04 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 42 K 8.26 5.12 0.00 1.64 1.63 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.37 7.81 43 D 8.98 4.68 0.00 2.85 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 44 E 8.66 3.54 0.00 1.95 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 0.00 2.31 2.39 0.00 45 K 8.40 4.44 0.00 1.72 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.45 7.81 46 G 8.88 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 47 R 8.61 4.11 0.00 2.10 1.76 0.00 3.13 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 48 K 8.64 4.73 0.00 1.61 1.75 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.47 7.81 49 I 8.53 4.77 1.87 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 1.25 1.08 0.97 0.00 0.00 50 P 0.00 4.79 0.00 1.54 1.96 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 51 E 9.33 4.83 0.00 1.88 1.93 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 2.11 2.15 0.00 52 Y 8.84 5.30 0.00 2.90 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 53 L 9.41 4.11 0.00 0.27 1.19 -0.33 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.51 4.64 1.53 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.88 0.00 0.00 55 H 8.62 5.39 0.00 3.16 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.21 5.05 0.00 2.89 2.79 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 0.00 0.00 0.00 57 N 8.62 4.50 0.00 2.95 2.84 0.00 0.00 7.32 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 58 G 9.22 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 59 W 7.79 4.67 0.00 3.31 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 60 N 8.82 4.96 0.00 3.07 3.10 0.00 0.00 5.82 7.66 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 61 R 8.66 4.46 0.00 2.05 2.31 0.00 2.97 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 62 S 9.27 4.33 0.00 3.79 3.97 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 63 W 8.34 4.58 0.00 3.49 3.24 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 64 D 8.08 4.76 0.00 2.73 2.44 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 65 R 8.66 4.95 0.00 1.92 1.91 0.00 3.38 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 66 W 8.85 4.98 0.00 3.20 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 A 9.34 4.97 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 68 A 8.58 4.50 1.36 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 0.00 0.00 69 E 9.24 4.39 0.00 2.29 2.21 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 2.72 3.01 0.00 70 D 8.41 4.56 0.00 2.86 2.84 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 0.00 0.00 0.00 71 H 8.85 4.94 0.00 3.52 3.53 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.86 4.67 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 -0.30 0.00 0.00 0.89 0.00 0.00 73 L 8.92 5.01 0.00 1.49 1.54 0.96 1.01 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 74 R 8.92 4.24 0.00 2.00 1.94 0.00 3.34 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 75 D 8.79 4.62 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.73 4.48 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 1.28 0.00 0.00 77 D 8.61 4.38 0.00 2.76 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 78 E 8.10 4.01 0.00 1.99 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 2.40 2.35 0.00 79 N 8.06 4.48 0.00 2.79 2.82 0.00 0.00 7.19 7.66 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 80 R 7.79 3.90 0.00 2.07 1.94 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 81 R 8.09 3.92 0.00 2.03 1.99 0.00 3.12 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 1.65 1.85 0.00 82 L 7.66 4.02 0.00 1.71 1.79 0.96 0.87 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 83 Q 8.09 3.84 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 84 R 8.02 3.93 0.00 1.88 1.94 0.00 3.16 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 85 K 7.94 3.99 0.00 1.92 1.95 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 86 L 8.14 4.06 0.00 1.68 1.83 1.00 0.61 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 87 A 7.89 3.93 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 88 R 8.07 3.92 0.00 1.87 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 89 K 7.58 3.93 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.71 7.81 90 A 7.88 4.12 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 91 V 7.54 3.69 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 0.74 0.00 0.00 0.97 0.00 0.00 92 A 7.73 4.16 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 * Residues marked with a * may have inaccurate shift predictions.