NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0961 8.2993 119.9877 56.8624 33.8131 175.3892 12 F 4.2911 7.7759 114.4272 56.1191 38.2056 180.3157 13 R 2.9475 8.1584 114.4678 53.1724 34.1304 177.8976 14 V 3.5790 6.9788 128.1344 64.0205 32.6181 174.1120 15 R 3.5337 7.1182 113.0460 57.5350 26.3990 175.0773 16 N 4.7591 7.5365 120.4282 53.0545 39.2281 177.8205 17 R 3.9838 7.7306 114.8911 57.8809 29.5731 177.5646 18 I 4.1236 7.5267 118.4014 62.2459 37.1977 175.4895 19 K 4.3214 8.0748 122.0049 56.3829 31.9163 176.2344 20 R 4.3115 7.2854 116.0150 54.8630 30.0208 177.1907 21 T 4.3210 7.9063 121.0606 65.7689 70.0991 172.3513 22 G 3.5794 9.9504 124.8821 45.5262 0.0000 171.9426 23 R 3.1074 8.6433 117.4225 57.0672 29.2463 175.8970 24 L 3.6288 8.0267 115.8725 55.8816 38.1341 174.4377 25 R 4.1292 8.3704 123.6786 55.6820 32.2788 175.3904 26 L 5.2488 7.6263 120.7715 53.8351 42.2971 174.7122 27 S 4.7557 7.9346 119.6238 58.2163 65.0102 173.1477 28 V 4.8906 7.2943 118.7383 63.5135 34.6135 172.6425 29 F 4.7011 8.5460 116.9974 58.1810 42.2841 173.5697 30 R 4.6887 9.2423 128.9092 54.6596 28.6144 175.4308 31 S 3.8034 7.7478 117.1311 57.0946 63.3995 174.1829 32 L 4.0594 8.5357 126.3407 57.9923 41.2289 178.7010 33 K 4.0915 7.6550 117.9377 58.2659 32.6944 177.1932 34 H 5.1874 7.4300 117.6820 54.8993 30.7453 172.7347 35 I 4.9535 7.8904 119.4890 61.3665 41.5140 174.8361 36 Y 4.9032 10.0004 126.5668 55.8271 41.8701 174.0612 37 A 5.5055 7.5883 127.2260 52.5254 21.2320 176.1617 38 Q 4.8262 7.7141 119.7770 55.1755 33.5337 174.4093 39 I 4.8049 8.1713 122.4149 61.9034 40.7734 174.1794 40 I 5.1875 8.3140 127.1923 58.6530 41.4614 174.3968 41 D 4.8953 8.1735 121.9678 53.0944 44.5570 175.1361 42 D 4.7803 8.6495 125.9450 54.5473 42.2304 176.6844 43 E 4.1645 9.0024 117.9124 56.8805 28.0382 175.8900 44 K 4.3804 7.7874 114.0576 54.7445 35.2967 176.4072 45 G 4.0113 7.7639 107.0114 46.7004 0.0000 172.8440 46 V 4.4711 7.0281 116.5059 61.0951 35.8873 175.5509 47 T 4.5786 8.4993 123.3476 63.2493 68.0828 174.6179 48 L 4.3166 8.9509 127.6538 56.3548 42.4931 176.6344 49 V 4.5091 6.9862 116.9699 62.4718 34.7079 172.4183 50 S 4.7369 8.2234 112.5617 58.1234 64.7930 176.2825 51 A 4.2543 8.4008 121.3990 52.1039 22.6340 175.8738 52 S 5.0469 8.4248 122.0849 57.2667 65.9940 172.8422 53 S 4.4892 7.4070 116.0566 58.8437 61.7296 178.5824 54 L 3.6123 8.4301 123.0788 57.3934 41.7964 177.9317 55 A 3.9317 7.6667 120.6517 54.4330 18.4905 177.3215 56 L 4.4959 8.3717 118.4344 55.5969 42.3796 176.8115 57 K 3.6929 8.1046 113.4182 56.5348 31.0490 175.2087 58 L 3.9989 7.6598 120.2968 54.2492 42.4488 175.9250 59 K 3.8656 8.3371 122.9135 56.7973 32.5666 175.9597 60 G 4.0939 8.2566 108.6967 45.4642 0.0000 172.5822 61 N 5.0401 7.7786 115.8125 51.0565 43.4726 173.7726 62 K 3.8528 8.3597 122.3428 57.8547 30.7184 179.1540 63 T 3.8543 8.9178 115.3131 65.8140 69.8451 177.0107 64 E 3.8151 8.0718 121.6501 58.6116 30.1524 179.6919 65 V 3.5032 7.5756 116.5354 66.2584 31.4321 177.4542 66 A 4.2005 8.6166 118.6065 53.6934 18.0135 178.1352 67 R 4.2034 8.3864 115.8740 58.2007 30.6178 177.7981 68 Q 3.9401 8.0935 116.9277 59.5035 28.7748 179.5535 69 V 3.8996 8.2879 120.1375 65.7242 31.0926 177.3632 70 G 3.8120 8.6530 107.7993 46.2698 0.0000 174.7566 71 R 4.0541 7.6121 119.8957 57.0596 30.8454 178.3157 72 A 4.2104 8.0796 121.6721 54.5734 19.3334 179.3608 73 L 3.9381 7.9492 118.4498 57.9919 42.0698 179.1648 74 A 3.9370 7.9017 120.3578 55.0609 18.3335 178.5657 75 E 3.8545 7.5880 116.5556 60.3329 29.9453 178.6337 76 K 3.6936 8.1857 116.6322 60.3709 32.2531 178.4904 77 A 4.2250 8.2833 120.6926 55.5128 18.2871 179.3014 78 L 4.4058 8.1754 116.7517 56.1558 41.3523 178.3859 79 A 4.4326 8.3469 121.4332 53.9188 19.4254 178.5915 80 L 4.2314 7.6019 114.1889 55.7278 41.8743 178.0232 81 G 4.0075 7.7432 107.4638 44.9971 0.0000 174.3362 82 I 3.9377 7.5055 120.9791 61.0984 37.5022 174.6018 83 K 4.5601 7.9143 121.6006 55.7169 34.6068 175.1948 84 Q 4.9118 7.9330 118.1187 55.2490 31.8480 176.1283 85 V 4.2704 7.8082 114.8525 60.5942 37.2999 173.9186 86 A 4.7512 8.4464 127.6447 51.5981 22.4152 176.1060 87 F 4.5924 8.7858 123.0621 57.3108 41.6911 175.5634 88 D 4.2707 6.0500 122.5631 52.3776 42.6189 173.6610 89 R 3.9000 7.6112 127.3909 54.9494 31.1563 174.5066 90 G 3.5870 8.4491 115.5065 47.9803 0.0000 172.4011 91 P 4.4874 0.0000 0.0000 63.5987 30.9775 178.7350 92 Y 3.9618 8.0684 115.6616 58.5221 38.7945 176.7285 93 K 3.1812 6.0959 121.5171 60.9777 30.3318 177.2755 94 Y 3.9330 5.3700 119.5343 57.8310 37.0854 173.4707 95 H 4.2495 8.2003 124.8283 56.4880 33.8149 175.9000 96 G 3.5310 7.1119 109.6336 46.3077 0.0000 174.3913 97 R 3.7366 8.2553 117.4091 56.2379 29.9408 177.4995 98 V 3.4178 9.7005 118.6289 63.8989 31.8616 176.7978 99 K 5.1546 8.8312 124.4290 56.3981 31.1815 175.6640 100 A 4.0631 7.8703 126.2428 51.8027 17.6756 177.4515 101 L 4.9196 7.7964 119.1707 53.5116 45.2068 177.4773 102 A 4.1146 9.2405 124.8105 53.0959 17.8807 180.9875 103 E 3.3273 10.3033 119.3539 58.8122 30.5183 178.5391 104 G 3.9654 7.6881 115.2511 45.8324 0.0000 175.8427 105 A 4.4561 8.2804 130.6630 51.5330 17.8909 178.8719 106 R 3.9709 8.8249 124.0481 59.7969 30.3656 177.2495 107 E 4.1046 8.1471 113.3681 56.5736 29.9251 173.7560 108 G 3.7293 8.2050 107.9438 46.5267 0.0000 174.0282 *109 G 3.7078 7.8624 110.1838 45.6709 0.0000 172.2885 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 11 K 8.30 4.10 0.00 1.68 1.75 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.32 7.81 12 F 7.78 4.29 0.00 3.22 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 13 R 8.16 2.95 0.00 2.07 2.28 0.00 3.16 0.00 0.00 3.18 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 14 V 6.98 3.58 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 0.78 0.00 0.00 1.01 0.00 0.00 15 R 7.12 3.53 0.00 1.94 2.23 0.00 3.25 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 16 N 7.54 4.76 0.00 2.88 3.03 0.00 0.00 5.86 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 17 R 7.73 3.98 0.00 1.94 2.12 0.00 2.92 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 18 I 7.53 4.12 1.86 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 1.28 0.55 0.90 0.00 0.00 19 K 8.07 4.32 0.00 1.76 1.79 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 20 R 7.29 4.31 0.00 1.89 1.85 0.00 3.34 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 1.75 1.62 0.00 21 T 7.91 4.32 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 1.21 0.00 0.00 22 G 9.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.11 0.00 1.88 1.91 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 24 L 8.03 3.63 0.00 1.80 1.67 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.37 4.13 0.00 1.88 1.79 0.00 3.07 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 26 L 7.63 5.25 0.00 1.75 1.47 1.19 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.93 4.76 0.00 3.79 3.74 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 28 V 7.29 4.89 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 1.13 0.00 0.00 0.80 0.00 0.00 29 F 8.55 4.70 0.00 2.95 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 30 R 9.24 4.69 0.00 1.92 1.93 0.00 3.36 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 31 S 7.75 3.80 0.00 3.21 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 32 L 8.54 4.06 0.00 1.65 1.72 0.94 0.90 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 33 K 7.65 4.09 0.00 1.64 1.58 0.00 1.68 0.00 0.00 1.48 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.43 7.81 34 H 7.43 5.19 0.00 3.29 3.04 0.00 5.71 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.89 4.95 1.88 0.00 0.00 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 1.42 1.40 0.89 0.00 0.00 36 Y 10.00 4.90 0.00 3.08 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 37 A 7.59 5.51 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.71 4.83 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 39 I 8.17 4.80 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.95 0.00 0.00 40 I 8.31 5.19 1.85 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 1.21 1.83 0.93 0.00 0.00 41 D 8.17 4.90 0.00 2.74 2.45 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 0.00 0.00 0.00 0.00 42 D 8.65 4.78 0.00 2.81 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 43 E 9.00 4.16 0.00 2.14 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 2.18 2.31 0.00 44 K 7.79 4.38 0.00 1.69 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.50 7.81 45 G 7.76 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 46 V 7.03 4.47 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 1.02 0.00 0.00 0.95 0.00 0.00 47 T 8.50 4.58 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 1.28 0.00 0.00 48 L 8.95 4.32 0.00 1.62 1.72 0.93 0.85 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 49 V 6.99 4.51 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 0.78 0.00 0.00 0.94 0.00 0.00 50 S 8.22 4.74 0.00 3.88 3.79 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 51 A 8.40 4.25 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 52 S 8.42 5.05 0.00 3.54 2.92 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 53 S 7.41 4.49 0.00 3.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 3.61 0.00 1.32 0.69 0.90 0.86 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 55 A 7.67 3.93 1.08 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 0.00 0.00 0.00 56 L 8.37 4.50 0.00 1.54 1.71 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.10 3.69 0.00 1.86 1.83 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.48 7.81 58 L 7.66 4.00 0.00 1.50 1.55 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.34 3.87 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.46 7.81 60 G 8.26 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.78 5.04 0.00 2.64 2.75 0.00 0.00 7.25 6.68 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 62 K 8.36 3.85 0.00 1.94 1.54 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.50 7.81 63 T 8.92 3.85 4.20 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 1.16 0.00 0.00 64 E 8.07 3.82 0.00 2.08 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 2.39 2.40 0.00 65 V 7.58 3.50 2.38 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 0.97 0.00 0.00 0.97 0.00 0.00 66 A 8.62 4.20 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 67 R 8.39 4.20 0.00 1.91 1.93 0.00 3.13 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 68 Q 8.09 3.94 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 69 V 8.29 3.90 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 0.87 0.00 0.00 0.94 0.00 0.00 70 G 8.65 3.81 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 0.00 0.00 0.00 71 R 7.61 4.05 0.00 2.04 2.00 0.00 3.11 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 72 A 8.08 4.21 1.40 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 73 L 7.95 3.94 0.00 1.91 1.71 1.05 0.91 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 74 A 7.90 3.94 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 75 E 7.59 3.85 0.00 2.06 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 2.34 2.39 0.00 76 K 8.19 3.69 0.00 2.06 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.68 7.81 77 A 8.28 4.22 1.38 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 0.00 0.00 78 L 8.18 4.41 0.00 1.83 1.75 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.35 4.43 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 80 L 7.60 4.23 0.00 1.78 1.73 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.74 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 82 I 7.51 3.94 1.98 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 1.19 1.00 0.93 0.00 0.00 83 K 7.91 4.56 0.00 1.73 1.54 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 84 Q 7.93 4.91 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 85 V 7.81 4.27 2.32 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 0.67 0.00 0.00 0.99 0.00 0.00 86 A 8.45 4.75 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 87 F 8.79 4.59 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 88 D 6.05 4.27 0.00 2.39 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 3.90 0.00 2.03 2.12 0.00 3.46 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 90 G 8.45 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 1.94 1.44 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 92 Y 8.07 3.96 0.00 3.25 3.19 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 0.00 93 K 6.10 3.18 0.00 1.92 1.81 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.35 7.81 94 Y 5.37 3.93 0.00 2.92 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 95 H 8.20 4.25 0.00 2.93 3.22 0.00 6.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.11 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 0.00 0.00 0.00 97 R 8.26 3.74 0.00 1.90 2.01 0.00 3.14 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 98 V 9.70 3.42 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 0.79 0.00 0.00 0.56 0.00 0.00 99 K 8.83 5.15 0.00 1.81 1.88 0.00 1.99 0.00 0.00 2.59 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.59 7.81 100 A 7.87 4.06 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 0.00 101 L 7.80 4.92 0.00 1.70 1.64 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.24 4.11 1.14 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 0.00 103 E 10.30 3.33 0.00 2.07 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 2.27 2.25 0.00 104 G 7.69 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 0.00 0.00 0.00 105 A 8.28 4.46 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 0.00 106 R 8.82 3.97 0.00 1.70 2.03 0.00 3.44 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 107 E 8.15 4.10 0.00 2.00 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 0.00 2.13 2.29 0.00 108 G 8.21 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 0.00 0.00 0.00 *109 G 7.86 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.