NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7263 8.4093 118.1280 52.5480 40.7170 174.0971 3 K 4.5441 7.6892 113.8405 54.2316 36.1266 174.9083 4 N 4.3402 8.9506 115.1400 56.4914 39.2452 178.2933 5 I 3.6128 7.7444 119.6296 64.4314 37.6276 177.1637 6 D 4.4305 7.4977 116.5371 57.9854 40.7372 179.4886 7 T 3.9033 7.8078 115.4049 66.7624 68.5592 177.1125 8 V 3.6865 7.7707 119.5726 66.3386 30.9464 177.0999 9 R 3.5954 8.1638 118.6945 59.6779 29.6976 178.2372 10 E 4.0616 8.2306 116.2434 59.2631 29.8508 179.2606 11 I 3.7678 7.7549 120.7930 63.9748 37.1296 177.9117 12 I 3.8298 8.4047 121.6382 64.8590 37.0304 178.4178 13 T 3.8881 7.5929 109.3164 65.0655 68.6183 176.4111 14 V 3.6333 7.5750 121.5666 65.5328 31.4989 177.1367 15 A 4.5346 8.0726 118.4653 53.3183 18.7956 179.0378 16 S 4.2294 7.8930 112.5821 60.5164 63.4131 176.4160 17 I 3.3866 7.7339 123.8325 64.4848 36.8844 178.1348 18 L 4.0780 7.6157 119.5304 57.9417 41.4964 179.5422 19 I 4.0203 7.6816 118.6438 63.2240 36.8400 178.1322 20 K 3.7922 7.8704 120.7506 59.3271 32.0314 177.8370 21 F 4.7937 7.4931 114.4977 56.7595 39.3031 175.2352 22 S 3.7411 8.0150 112.2222 59.9035 61.2326 172.1557 23 R 4.6845 8.1331 114.3602 55.2306 30.0832 177.6845 24 E 4.1867 7.8877 116.2279 58.1958 29.8607 177.7793 25 D 4.4569 7.9805 119.8266 57.7462 40.9306 178.1356 26 I 3.8281 7.1718 119.1424 64.1992 37.4622 178.2734 27 V 3.7657 7.5415 118.6954 65.5422 31.3472 177.2214 28 E 2.5400 7.6609 117.8666 56.6699 29.7294 176.0927 29 N 4.9402 7.2311 116.1002 50.8640 42.4987 174.8807 30 R 3.8639 8.8746 121.8695 59.5128 29.3152 178.9370 31 A 3.9099 8.7869 121.6522 55.1124 18.4982 179.0618 32 N 4.1952 8.3038 114.3399 56.7533 38.5245 177.2787 33 F 4.3028 8.0271 121.6501 61.4137 39.5635 177.2280 34 I 3.4946 7.8966 119.4954 64.2096 36.8028 178.1931 35 A 3.9527 8.1200 121.4099 55.3306 18.3421 179.3478 36 F 4.1658 8.2178 119.0348 61.5661 39.2747 177.3439 37 L 3.6149 8.1415 118.9783 57.7317 41.1616 179.2401 38 N 4.3684 8.0073 115.3718 56.4536 38.4538 176.5948 39 E 3.9664 8.0430 119.8591 59.4942 29.6447 178.7807 40 I 3.9116 7.6480 114.0274 61.5475 38.5057 176.0327 41 G 3.5952 7.8844 108.6054 46.0936 0.0000 174.3831 42 V 3.6971 7.5848 119.9114 62.2978 31.4194 174.6959 43 T 4.6375 8.1709 118.0718 59.8307 71.0952 172.1802 44 H 4.2258 8.7018 127.6890 57.6509 29.3394 175.8300 45 E 4.2213 8.7404 119.2080 55.9188 29.7559 176.9862 46 G 3.9391 8.1282 102.7123 46.0836 0.0000 172.9280 47 R 4.7493 7.3481 117.1645 53.3126 33.9259 174.9962 48 K 4.0590 8.4458 119.0001 56.5197 32.5980 176.5387 49 L 4.3879 8.3782 124.8023 54.3475 42.9613 176.4614 50 N 4.9426 8.4353 123.0465 51.5895 41.7764 175.8798 51 Q 4.0845 8.4216 121.7596 59.4863 29.2705 177.7076 52 N 4.5099 8.1376 117.7415 56.1653 37.3876 177.3061 53 S 4.2582 8.1123 116.7294 60.6797 62.8451 176.2560 54 F 4.0112 8.4912 124.0967 61.2787 39.1919 177.1871 55 R 3.7928 7.7429 117.3268 58.7419 29.8179 178.3848 56 K 3.8687 7.8754 118.7759 59.9987 32.1968 179.0051 57 I 3.7360 6.9662 113.0692 63.6894 37.3908 178.3078 58 V 3.7493 6.8888 112.8257 63.8872 31.6339 178.6508 59 S 4.2967 7.9392 115.0487 61.4855 62.7036 175.9639 60 E 4.1452 8.0456 116.6375 55.8054 30.0633 176.5725 61 L 3.8309 6.7520 119.6545 55.8000 42.5795 177.8692 62 T 4.3819 8.5698 113.2151 60.8852 71.5291 176.2025 63 Q 4.0129 8.4038 119.5233 59.0225 28.5903 178.6364 64 E 3.9784 8.1563 119.2097 59.6427 29.4660 179.0332 65 D 4.2961 7.9435 118.5448 57.0924 40.7305 179.0913 66 K 3.7414 7.9433 118.9326 59.2163 32.1543 179.0998 67 K 3.7115 8.3423 120.2928 59.9447 31.9515 178.6917 68 T 3.7864 7.9993 116.0551 66.7316 68.3741 176.5798 69 L 3.9146 7.3660 120.3794 57.4309 41.2383 179.2973 70 I 3.5302 6.9037 119.2133 64.7610 37.1615 177.8459 71 D 4.4447 7.9239 118.0238 57.0510 40.6986 178.0800 72 E 4.1679 7.9710 117.8370 57.0091 31.5342 177.0399 73 F 4.6140 8.2950 117.7704 55.5093 37.9386 174.8054 74 N 4.5027 7.4539 121.2695 56.2924 38.2996 176.3740 75 E 4.1237 8.1296 119.6462 59.5075 30.1730 179.6101 76 G 3.7241 8.1395 105.0346 48.0463 0.0000 175.3095 77 F 4.3425 8.6686 123.4447 60.0288 39.1258 176.5301 78 E 4.1343 7.9813 117.7176 60.1833 29.7792 178.4976 79 G 3.6649 8.0353 104.7613 47.9023 0.0000 175.7399 80 V 3.6397 8.3869 114.5587 63.5283 31.3891 177.8430 81 Y 4.0366 7.6993 117.6788 59.0335 38.4832 177.6261 82 R 3.6509 7.7125 118.8798 59.8813 30.2061 178.1845 83 Y 3.1373 8.0133 115.8645 60.8074 37.7931 178.0939 84 L 3.8534 8.1071 119.4619 58.1279 41.5515 179.1436 85 E 3.8048 7.1763 118.2992 58.8708 29.2895 178.5282 86 M 4.0888 7.0738 115.1889 57.8728 31.5614 176.7803 87 Y 4.5762 7.1226 114.4967 59.1883 38.7221 175.0388 88 T 4.5971 7.3160 113.1244 61.0616 67.4496 174.9863 89 N 4.4813 8.0440 121.8503 52.4442 38.6157 176.7100 *90 K 4.1343 8.3911 123.7816 54.6476 32.5024 173.3159 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 N 8.41 4.73 0.00 2.88 2.94 0.00 0.00 6.71 6.73 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 3 K 7.69 4.54 0.00 1.85 1.91 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.62 7.81 4 N 8.95 4.34 0.00 2.75 3.03 0.00 0.00 6.48 7.35 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 5 I 7.74 3.61 1.85 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 1.61 1.28 0.91 0.00 0.00 6 D 7.50 4.43 0.00 3.00 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 7 T 7.81 3.90 4.18 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 1.14 0.00 0.00 8 V 7.77 3.69 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 1.24 0.00 0.00 1.00 0.00 0.00 9 R 8.16 3.60 0.00 1.99 2.05 0.00 3.23 0.00 0.00 3.48 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 10 E 8.23 4.06 0.00 2.28 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 2.44 2.34 0.00 11 I 7.75 3.77 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.09 1.04 0.00 0.00 12 I 8.40 3.83 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.27 0.86 0.00 0.00 13 T 7.59 3.89 4.31 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 1.36 0.00 0.00 14 V 7.57 3.63 2.28 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 0.99 0.00 0.00 0.93 0.00 0.00 15 A 8.07 4.53 1.75 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 0.00 0.00 16 S 7.89 4.23 0.00 4.04 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 17 I 7.73 3.39 2.12 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 1.79 1.00 0.92 0.00 0.00 18 L 7.62 4.08 0.00 1.83 1.84 0.14 0.87 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 19 I 7.68 4.02 1.75 0.00 0.00 0.55 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 1.01 0.72 0.00 0.00 20 K 7.87 3.79 0.00 1.52 1.81 0.00 1.49 0.00 0.00 1.22 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 1.05 7.81 21 F 7.49 4.79 0.00 3.22 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 22 S 8.01 3.74 0.00 4.04 3.96 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 0.00 0.00 0.00 0.00 23 R 8.13 4.68 0.00 1.91 1.82 0.00 3.36 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 24 E 7.89 4.19 0.00 2.31 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 0.00 2.46 2.49 0.00 25 D 7.98 4.46 0.00 2.59 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 26 I 7.17 3.83 1.68 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 1.26 0.34 0.55 0.00 0.00 27 V 7.54 3.77 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 1.22 0.00 0.00 1.07 0.00 0.00 28 E 7.66 2.54 0.00 1.67 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 1.94 1.76 0.00 29 N 7.23 4.94 0.00 2.73 2.69 0.00 0.00 6.73 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 30 R 8.87 3.86 0.00 2.21 2.39 0.00 3.13 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 31 A 8.79 3.91 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 32 N 8.30 4.20 0.00 2.92 2.91 0.00 0.00 6.64 8.12 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 33 F 8.03 4.30 0.00 3.22 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 34 I 7.90 3.49 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.13 0.89 0.00 0.00 35 A 8.12 3.95 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 36 F 8.22 4.17 0.00 3.03 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 37 L 8.14 3.61 0.00 1.69 1.56 1.02 0.01 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 38 N 8.01 4.37 0.00 2.83 2.86 0.00 0.00 7.36 7.38 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 39 E 8.04 3.97 0.00 2.09 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 2.53 2.56 0.00 40 I 7.65 3.91 1.70 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 0.59 0.00 0.00 41 G 7.88 3.60 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 0.00 0.00 0.00 42 V 7.58 3.70 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 0.92 0.00 0.00 0.81 0.00 0.00 43 T 8.17 4.64 4.30 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 1.25 0.00 0.00 44 H 8.70 4.23 0.00 3.06 3.15 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.74 4.22 0.00 1.90 1.84 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 2.04 1.65 0.00 46 G 8.13 3.94 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 0.00 0.00 0.00 47 R 7.35 4.75 0.00 1.84 1.79 0.00 3.13 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 48 K 8.45 4.06 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.38 7.81 49 L 8.38 4.39 0.00 1.79 1.63 1.07 1.22 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 50 N 8.44 4.94 0.00 2.82 2.77 0.00 0.00 6.82 7.99 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 51 Q 8.42 4.08 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 52 N 8.14 4.51 0.00 3.07 3.10 0.00 0.00 6.28 7.18 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 53 S 8.11 4.26 0.00 3.97 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 54 F 8.49 4.01 0.00 3.41 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 55 R 7.74 3.79 0.00 2.20 1.92 0.00 3.23 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 56 K 7.88 3.87 0.00 2.03 2.05 0.00 1.39 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 57 I 6.97 3.74 1.72 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 1.47 0.16 0.83 0.00 0.00 58 V 6.89 3.75 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 0.30 0.00 0.00 0.82 0.00 0.00 59 S 7.94 4.30 0.00 3.88 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 60 E 8.05 4.15 0.00 2.12 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 2.51 2.34 0.00 61 L 6.75 3.83 0.00 1.80 1.68 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.57 4.38 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 1.24 0.00 0.00 63 Q 8.40 4.01 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 64 E 8.16 3.98 0.00 2.03 1.98 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 0.00 2.39 2.45 0.00 65 D 7.94 4.30 0.00 2.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.94 3.74 0.00 1.94 1.81 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.59 7.81 67 K 8.34 3.71 0.00 1.85 2.00 0.00 1.50 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.50 7.81 68 T 8.00 3.79 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 1.22 0.00 0.00 69 L 7.37 3.91 0.00 0.56 0.78 0.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 I 6.90 3.53 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.25 0.94 0.00 0.00 71 D 7.92 4.44 0.00 2.79 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 72 E 7.97 4.17 0.00 2.03 1.71 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 2.23 2.51 0.00 73 F 8.29 4.61 0.00 3.23 3.11 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 0.00 0.00 0.00 74 N 7.45 4.50 0.00 2.74 2.80 0.00 0.00 6.55 7.76 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 75 E 8.13 4.12 0.00 2.06 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 2.42 2.42 0.00 76 G 8.14 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 77 F 8.67 4.34 0.00 3.16 3.32 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 78 E 7.98 4.13 0.00 2.36 2.17 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 2.40 2.44 0.00 79 G 8.04 3.66 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 0.00 80 V 8.39 3.64 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 0.66 0.00 0.00 1.07 0.00 0.00 81 Y 7.70 4.04 0.00 1.97 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 0.00 0.00 0.00 82 R 7.71 3.65 0.00 2.03 1.73 0.00 3.25 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 83 Y 8.01 3.14 0.00 3.11 3.11 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 0.00 0.00 0.00 84 L 8.11 3.85 0.00 1.32 1.69 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.18 3.80 0.00 1.16 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 2.06 2.09 0.00 86 M 7.07 4.09 0.00 1.76 1.90 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.39 0.00 87 Y 7.12 4.58 0.00 2.90 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 88 T 7.32 4.60 4.36 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 1.30 0.00 0.00 89 N 8.04 4.48 0.00 2.71 2.75 0.00 0.00 7.00 7.51 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 *90 K 8.39 4.13 0.00 1.53 1.63 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.