NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.0333 8.1300 115.1521 56.3156 39.8453 176.7925 13 V 3.4204 7.9593 122.9632 66.8237 31.0788 175.0122 14 A 4.0005 8.7075 120.3290 55.3289 18.9336 178.5324 15 E 4.1131 8.2362 116.5945 59.6345 29.5264 179.4994 16 L 4.0694 8.2249 119.0427 57.7854 41.7874 179.2269 17 N 4.3359 8.3235 116.6239 56.2749 38.2220 176.8021 18 N 4.4795 7.8982 117.5442 55.6872 39.2345 175.8396 19 L 4.4834 7.9303 119.3070 53.4025 42.0702 176.2017 20 L 4.2425 7.0618 120.1290 56.4939 41.8941 177.8268 21 G 3.9857 9.5349 112.2725 45.0860 0.0000 173.1547 22 R 4.7343 7.8603 118.6546 53.9777 33.4167 175.0785 23 E 4.7076 8.6119 122.2002 56.6224 30.5831 176.0674 24 V 4.8716 9.1146 119.0447 59.9670 37.1305 173.6881 25 Q 5.1941 9.1848 119.6938 54.4722 31.8849 174.5661 26 V 4.7534 8.9862 121.5542 61.2212 34.5758 174.0927 27 V 4.6267 8.4924 128.2076 61.5944 33.1377 174.7449 28 L 5.3400 8.7917 128.2525 53.2074 43.8521 177.7870 29 S 4.4027 9.1505 115.9600 59.9209 63.2228 174.4945 30 N 4.6790 8.2587 118.1186 52.7812 37.2811 176.0168 31 G 3.9802 8.2482 107.9433 45.4792 0.0000 173.9912 32 E 4.3451 8.4715 119.6087 55.9573 31.4864 175.9312 33 V 4.7638 7.9748 120.8120 61.5233 34.8901 173.5053 34 Y 5.0662 9.0316 125.6023 56.1018 40.8460 174.8649 35 K 5.0404 8.9079 123.3236 54.4840 35.5984 175.7087 36 G 4.1819 8.2065 109.9746 45.8895 0.0000 171.9931 37 V 4.3300 7.7787 120.5304 62.0967 32.7344 174.8360 38 L 4.1839 9.1458 131.3040 56.1329 42.1875 176.4117 39 H 4.6788 9.0633 127.2923 58.0513 31.1397 175.0004 40 A 4.7008 7.5824 116.9196 50.9309 22.5046 175.4888 41 V 5.0055 8.2964 119.5038 61.4408 35.0294 174.2795 42 D 5.0164 8.3246 126.7340 51.2144 41.8841 176.6763 43 N 4.3075 8.5470 115.4341 56.2404 38.4430 176.3202 44 Q 3.8345 7.9229 114.5043 55.6480 29.1045 175.8631 45 L 3.7623 7.7982 116.9556 55.5173 39.3644 174.4455 46 N 4.9056 8.6155 116.1847 53.6714 39.9362 174.3249 47 I 4.9427 8.8740 121.0924 59.7452 41.9801 174.3572 48 V 4.7230 8.6548 125.5684 61.0576 34.2279 174.1718 49 L 5.2231 8.8124 126.9572 52.8939 45.0430 175.0719 50 A 4.7998 8.8800 124.5095 50.7878 21.3684 176.3588 51 N 4.1507 8.3837 118.1902 54.2906 36.6948 173.2414 52 A 5.1271 8.2917 121.4398 51.0993 22.3788 177.5197 53 S 5.8227 9.1899 112.3707 57.5994 67.0390 173.1057 54 N 5.4616 8.3416 118.0851 49.8642 40.1255 175.2396 55 K 3.7975 8.5726 117.2421 59.7089 32.0038 178.3917 56 A 4.0157 7.8378 118.4402 52.9741 18.2336 178.0508 57 G 3.9100 8.4245 104.7720 45.1288 0.0000 173.9436 58 E 4.1374 8.1140 119.3558 55.9512 30.7162 175.9994 59 K 4.9991 7.9038 121.0202 54.6875 35.4593 175.6067 60 F 4.8405 9.2261 121.2379 55.7550 43.0820 175.2732 61 N 4.3774 9.1901 121.6223 56.4635 39.8758 174.7614 62 R 4.9804 7.8272 114.7928 54.2849 34.5637 175.0196 63 V 3.9713 8.3086 122.2352 61.0761 34.5064 174.0947 64 F 4.9143 8.6535 127.1993 56.6182 39.9253 175.1632 65 I 4.6065 8.9267 129.3194 60.2234 40.1573 175.8140 *67 Y 4.7013 8.4837 118.7973 58.0911 39.7009 177.3841 68 R 3.6651 7.1014 117.7936 58.2228 30.2486 176.5762 69 Y 4.3573 7.7818 113.7232 57.4885 38.7232 174.4683 70 I 4.4081 7.4482 122.1971 60.8193 37.5190 175.9548 71 V 4.0694 8.8177 128.4979 65.4083 32.0212 175.5509 72 H 4.9207 7.6667 113.2572 54.7316 31.5728 171.9864 73 I 5.0719 8.2797 119.7527 59.7400 39.9084 174.6997 74 D 5.0706 9.3005 125.6849 52.5879 45.1199 174.7027 75 S 4.9692 8.4346 114.5820 57.0686 65.2367 173.7656 76 T 4.3602 8.7518 115.2398 61.6084 69.5203 174.3075 77 E 4.3499 7.6730 122.0387 55.4197 30.7073 176.0524 78 R 4.2914 8.3422 121.7188 54.8885 30.4513 175.7682 79 R 4.5205 8.2173 123.6130 54.0402 31.7952 175.4351 80 I 3.8826 8.3808 126.6920 61.2498 37.7489 174.6602 81 D 5.0048 8.6765 123.8046 52.3717 44.4631 176.1925 *83 R 3.8273 8.3150 117.7272 56.1032 32.0071 178.2530 84 E 3.9821 7.9720 116.0205 59.0842 29.3415 179.1628 85 F 3.1402 8.0338 120.7019 60.8434 39.3486 176.9291 86 A 3.9046 7.9599 119.8689 55.0309 17.8938 179.6108 87 K 3.8297 7.7666 116.1195 59.6898 32.4642 179.3430 88 Q 4.0231 7.9142 117.9334 58.9410 28.6394 178.5568 89 A 3.9342 7.8535 122.0188 55.1879 18.2902 179.2648 90 E 4.0331 8.1074 117.5815 59.1499 29.4027 179.0051 91 K 4.0850 7.8178 117.6123 58.4205 32.2126 178.3988 92 I 3.9500 7.3922 118.4452 61.5033 39.1426 175.8716 93 F 4.9415 8.4356 116.7087 54.4370 39.1000 173.3250 94 P 4.6950 0.0000 0.0000 63.8231 31.7985 176.9909 95 G 3.5729 8.8835 110.3091 46.5308 0.0000 173.6145 *97 V 4.1155 7.5393 116.9606 62.3952 33.0748 174.6906 98 K 4.6038 8.7156 127.5318 55.0446 35.9027 174.1026 99 Y 4.8738 8.7614 128.6243 56.9527 40.7462 174.0031 100 I 4.3153 8.0809 127.9174 59.0432 38.3912 176.0770 101 E 3.7704 8.4497 126.1786 58.9784 29.7529 178.6640 102 E 4.0622 8.1413 118.3864 58.5876 29.5499 177.4410 103 T 4.3237 7.3797 104.8017 60.1150 70.4082 172.6646 104 N 4.1057 8.1203 119.3250 54.3210 37.5690 172.9184 105 V 4.6902 6.8343 116.4625 61.1426 36.6046 174.4638 106 V 4.8404 8.6820 124.3315 61.1518 34.0318 174.2318 107 L 4.7840 9.0121 129.0965 53.8349 43.3748 175.8848 108 I 4.2595 8.6364 124.8753 60.3781 39.4288 176.0265 109 G 4.0186 8.5498 118.4604 45.5302 0.0000 171.5588 110 D 4.6828 8.6153 116.9229 54.2348 42.3669 177.8579 111 K 4.4901 7.9613 115.2577 56.0357 33.6104 175.4548 112 V 4.5968 7.4458 118.7808 60.8731 34.5564 174.1529 113 R 4.9589 8.8046 127.2559 54.4402 33.3675 173.8441 114 V 4.6172 8.7105 126.0356 61.0144 34.6036 174.5111 115 S 5.2051 8.1846 121.8613 55.9021 66.2834 174.5856 116 E 4.4575 8.8819 116.5869 58.2511 29.4995 177.9597 117 I 3.9496 8.1261 121.0610 62.1026 37.7453 176.2528 118 G 3.8444 6.5205 106.7558 43.8411 0.0000 171.1596 119 V 4.1132 7.4575 119.8736 61.8935 32.4104 174.9252 120 E 4.5174 10.3556 126.8370 53.8782 31.5672 175.7099 121 G 4.4592 7.6958 108.8488 43.3152 0.0000 172.0104 122 V 4.3697 7.7006 112.8684 59.7855 35.7682 175.7494 123 G 3.9264 8.5546 106.9884 44.2976 0.0000 172.4305 124 P 4.2761 0.0000 0.0000 65.6219 31.1096 179.0515 125 V 3.7533 7.8451 116.1491 66.1415 31.4731 177.6859 126 A 4.0688 8.0276 119.9700 55.0948 18.2048 179.1480 127 E 3.8988 8.1687 117.3636 59.4370 29.7987 178.9217 128 R 3.9568 8.5230 118.9911 59.5328 30.0890 178.2758 129 A 4.4331 8.8468 120.9824 55.3011 18.2744 179.7749 130 K 4.0994 8.5099 117.3873 59.7388 32.0845 179.8376 131 R 4.2701 8.1415 119.7478 58.4720 29.8800 178.8398 132 L 4.1039 8.2093 120.2884 58.1942 42.1172 178.8180 133 F 4.4417 8.9316 121.2079 61.4011 38.8484 176.7868 134 E 3.8515 8.6333 117.5484 59.4237 29.1730 178.8124 135 E 3.9378 8.5059 120.2598 59.0057 29.5622 178.3911 136 F 4.3125 8.6955 120.0067 61.3921 39.5255 176.3764 137 L 3.8742 7.7667 115.3739 54.5967 41.2987 177.6878 138 K 4.0734 8.1991 125.5607 57.6607 32.4329 176.1098 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 12 F 8.13 5.03 0.00 3.29 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 13 V 7.96 3.42 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 1.00 0.00 0.00 0.87 0.00 0.00 14 A 8.71 4.00 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 15 E 8.24 4.11 0.00 2.19 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 2.45 2.52 0.00 16 L 8.22 4.07 0.00 1.81 1.79 1.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.32 4.34 0.00 3.01 2.89 0.00 0.00 6.59 6.82 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 18 N 7.90 4.48 0.00 2.78 3.07 0.00 0.00 7.19 7.63 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 19 L 7.93 4.48 0.00 1.87 1.67 0.91 0.79 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 20 L 7.06 4.24 0.00 1.69 1.63 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.53 3.99 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 0.00 0.00 0.00 22 R 7.86 4.73 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 23 E 8.61 4.71 0.00 1.99 1.85 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 2.30 2.36 0.00 24 V 9.11 4.87 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 0.78 0.00 0.00 0.96 0.00 0.00 25 Q 9.18 5.19 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 26 V 8.99 4.75 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 0.99 0.00 0.00 0.97 0.00 0.00 27 V 8.49 4.63 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 0.98 0.00 0.00 0.90 0.00 0.00 28 L 8.79 5.34 0.00 1.90 1.66 1.03 1.09 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 29 S 9.15 4.40 0.00 4.04 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 30 N 8.26 4.68 0.00 2.84 2.94 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.25 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.47 4.35 0.00 2.10 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 2.34 2.48 0.00 33 V 7.97 4.76 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 1.01 0.00 0.00 0.92 0.00 0.00 34 Y 9.03 5.07 0.00 2.94 2.87 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 0.00 0.00 0.00 35 K 8.91 5.04 0.00 1.67 1.69 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 36 G 8.21 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 0.00 0.00 0.00 0.00 37 V 7.78 4.33 2.23 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 1.01 0.00 0.00 0.95 0.00 0.00 38 L 9.15 4.18 0.00 1.93 1.58 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.06 4.68 0.00 3.14 3.43 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.58 4.70 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 41 V 8.30 5.01 2.12 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 0.92 0.00 0.00 0.97 0.00 0.00 42 D 8.32 5.02 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.55 4.31 0.00 2.67 2.85 0.00 0.00 6.84 7.69 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 44 Q 7.92 3.83 0.00 1.80 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 45 L 7.80 3.76 0.00 1.67 1.86 0.90 0.46 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 46 N 8.62 4.91 0.00 3.02 2.86 0.00 0.00 6.79 6.97 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 47 I 8.87 4.94 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.11 0.94 0.00 0.00 48 V 8.65 4.72 2.12 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 0.72 0.00 0.00 1.15 0.00 0.00 49 L 8.81 5.22 0.00 1.48 1.50 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.88 4.80 1.17 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 0.00 0.00 0.00 0.00 0.00 51 N 8.38 4.15 0.00 2.81 2.84 0.00 0.00 6.88 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 52 A 8.29 5.13 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 53 S 9.19 5.82 0.00 3.90 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 54 N 8.34 5.46 0.00 2.27 1.57 0.00 0.00 6.73 7.20 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 55 K 8.57 3.80 0.00 1.69 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.35 7.81 56 A 7.84 4.02 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 57 G 8.42 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 58 E 8.11 4.14 0.00 1.99 1.62 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 2.31 2.48 0.00 59 K 7.90 5.00 0.00 1.40 1.56 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.46 7.81 60 F 9.23 4.84 0.00 2.93 2.95 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 61 N 9.19 4.38 0.00 2.80 2.85 0.00 0.00 6.92 7.65 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 62 R 7.83 4.98 0.00 1.47 0.88 0.00 3.00 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 63 V 8.31 3.97 1.82 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 0.29 0.00 0.00 0.69 0.00 0.00 64 F 8.65 4.91 0.00 2.91 2.97 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 65 I 8.93 4.61 1.99 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 1.11 0.55 0.95 0.00 0.00 *67 Y 8.48 4.70 0.00 3.28 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.10 3.67 0.00 1.29 1.38 0.00 2.89 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.12 0.00 69 Y 7.78 4.36 0.00 3.07 2.96 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 70 I 7.45 4.41 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 1.00 0.00 0.00 71 V 8.82 4.07 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 0.86 0.00 0.00 0.97 0.00 0.00 72 H 7.67 4.92 0.00 3.18 3.36 0.00 5.45 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 73 I 8.28 5.07 1.80 0.00 0.00 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 1.39 0.73 0.96 0.00 0.00 74 D 9.30 5.07 0.00 2.52 2.50 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 0.00 75 S 8.43 4.97 0.00 3.79 3.63 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 76 T 8.75 4.36 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 77 E 7.67 4.35 0.00 1.95 1.90 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 2.29 2.26 0.00 78 R 8.34 4.29 0.00 1.74 1.81 0.00 3.06 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 79 R 8.22 4.52 0.00 1.74 1.97 0.00 3.43 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 80 I 8.38 3.88 1.97 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 1.26 0.64 1.16 0.00 0.00 81 D 8.68 5.00 0.00 2.89 2.69 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 0.00 0.00 0.00 0.00 *83 R 8.31 3.83 0.00 1.84 1.70 0.00 3.40 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.85 0.00 84 E 7.97 3.98 0.00 2.47 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 2.40 2.38 0.00 85 F 8.03 3.14 0.00 1.98 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 86 A 7.96 3.90 1.41 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 87 K 7.77 3.83 0.00 1.89 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 88 Q 7.91 4.02 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 89 A 7.85 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.11 4.03 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 91 K 7.82 4.08 0.00 1.88 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.62 7.81 92 I 7.39 3.95 1.49 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.64 0.01 0.00 0.00 93 F 8.44 4.94 0.00 2.86 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 94 P 0.00 4.70 0.00 2.18 2.09 0.00 3.52 0.00 0.00 5.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 8.88 3.57 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 0.00 0.00 0.00 *97 V 7.54 4.12 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 0.81 0.00 0.00 1.06 0.00 0.00 98 K 8.72 4.60 0.00 1.82 1.56 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.38 7.81 99 Y 8.76 4.87 0.00 3.13 2.87 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 0.00 0.00 0.00 100 I 8.08 4.32 1.63 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 1.14 0.81 0.84 0.00 0.00 101 E 8.45 3.77 0.00 2.19 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 2.26 2.34 0.00 102 E 8.14 4.06 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 2.29 2.34 0.00 103 T 7.38 4.32 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 1.16 0.00 0.00 104 N 8.12 4.11 0.00 2.89 2.94 0.00 0.00 6.83 7.26 0.00 0.00 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 V 6.83 4.69 1.97 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 0.89 0.00 0.00 0.94 0.00 0.00 106 V 8.68 4.84 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.25 0.00 0.00 107 L 9.01 4.78 0.00 1.56 1.51 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.64 4.26 1.52 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.18 -0.19 0.00 0.00 109 G 8.55 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 0.00 110 D 8.62 4.68 0.00 2.59 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 0.00 111 K 7.96 4.49 0.00 1.71 1.75 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.45 4.60 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 0.93 0.00 0.00 0.86 0.00 0.00 113 R 8.80 4.96 0.00 1.83 1.63 0.00 3.03 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 114 V 8.71 4.62 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 -0.12 0.00 0.00 0.87 0.00 0.00 115 S 8.18 5.21 0.00 3.87 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 0.00 116 E 8.88 4.46 0.00 2.24 2.26 0.00 0.00 0.00 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 2.40 0.00 117 I 8.13 3.95 1.84 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 0.56 0.92 0.00 0.00 118 G 6.52 3.84 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 0.00 0.00 0.00 119 V 7.46 4.11 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 0.82 0.00 0.00 0.74 0.00 0.00 120 E 10.36 4.52 0.00 2.07 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 2.17 2.14 0.00 121 G 7.70 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.70 4.37 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 0.00 123 G 8.55 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 0.00 0.00 0.00 124 P 0.00 4.28 0.00 2.22 2.16 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 125 V 7.85 3.75 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 0.84 0.00 0.00 1.01 0.00 0.00 126 A 8.03 4.07 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 0.00 127 E 8.17 3.90 0.00 2.33 2.01 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 2.34 2.40 0.00 128 R 8.52 3.96 0.00 2.04 2.34 0.00 3.22 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.72 0.00 129 A 8.85 4.43 1.44 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 0.00 0.00 130 K 8.51 4.10 0.00 2.04 1.97 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.63 7.81 131 R 8.14 4.27 0.00 2.09 2.05 0.00 3.18 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 132 L 8.21 4.10 0.00 1.98 2.24 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.93 4.44 0.00 3.12 3.23 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 0.00 134 E 8.63 3.85 0.00 2.24 2.37 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 2.53 2.36 0.00 135 E 8.51 3.94 0.00 2.15 2.37 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 2.41 2.36 0.00 136 F 8.70 4.31 0.00 3.31 3.42 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 0.00 137 L 7.77 3.87 0.00 1.50 1.43 0.48 0.63 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 0.00 138 K 8.20 4.07 0.00 1.82 2.00 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.61 7.81 * Residues marked with a * may have inaccurate shift predictions.