NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.1247 8.3033 120.1593 55.9585 32.8583 174.7066 12 H 5.1582 8.1595 118.2505 52.5254 30.3572 172.5607 13 I 4.9364 8.4962 117.9655 58.7905 41.0202 173.7867 14 L 4.9975 8.8539 128.7964 53.5419 44.0259 174.7943 15 I 4.6990 9.0945 127.9840 60.0996 39.0033 174.6022 16 I 4.6011 8.9588 128.4697 59.5385 39.9070 174.9191 17 L 5.1083 8.8512 126.2517 53.2355 44.3624 174.6551 18 D 5.1379 8.4891 127.4899 52.1864 41.3198 176.2561 19 D 4.3756 8.4403 116.2101 57.1888 41.0253 177.6869 20 A 4.3028 7.4910 119.1449 52.2570 19.8255 177.2447 21 G 4.1415 7.3635 101.0535 43.7719 0.0000 175.2787 22 R 5.2142 8.4388 124.6309 54.4219 32.9735 173.4374 23 R 4.7204 9.0139 121.3473 55.3922 33.6320 173.1818 24 E 5.1221 8.6192 117.9265 54.4853 32.7409 175.9252 25 V 4.3669 8.7128 122.9792 60.9630 34.9630 174.3434 26 L 4.7509 8.5014 127.8012 53.9907 42.1966 176.4137 27 L 3.9954 8.8792 126.0852 54.6606 41.3604 177.1564 28 T 4.6309 9.8649 117.3588 61.7576 69.2589 173.5573 29 E 4.4957 8.5181 119.8820 55.4488 31.2508 175.4951 30 T 4.3408 8.2253 112.9276 64.1337 68.4956 173.8512 31 F 5.6141 7.7691 121.6671 57.1925 42.7157 173.0419 32 Y 4.9148 8.1139 121.5424 56.5760 42.7426 173.9576 33 T 4.7128 8.6414 112.7515 59.9807 71.9090 173.2152 34 I 4.8923 9.0142 124.5900 59.3172 40.7508 175.1168 35 G 4.4092 7.9306 113.5776 46.2708 0.0000 173.7544 36 R 5.0658 8.8365 115.0842 56.3954 30.2095 177.1169 37 S 4.3070 7.9213 115.5008 57.3456 62.8512 172.7362 38 P 4.4920 0.0000 0.0000 64.3638 31.0493 176.8268 39 R 4.3519 7.7749 117.1987 56.2140 30.8632 176.6031 40 A 4.1955 7.7026 121.9825 51.9432 19.0243 177.2973 41 D 4.5362 9.5423 123.4795 57.0022 41.6443 176.8777 42 I 4.3196 8.4785 122.1764 58.9477 38.8793 174.7588 43 R 4.2129 8.5139 127.7965 56.3710 30.8193 175.3588 44 I 4.5075 8.7635 127.7864 59.4828 40.1512 174.7825 45 K 4.6227 8.8887 129.0682 55.5163 32.7245 174.9075 46 S 4.8138 7.6847 116.7504 57.9743 65.0613 176.7125 47 Q 3.8995 8.2134 128.2204 57.8766 28.9795 176.1347 48 F 4.9289 7.0010 114.6436 57.6588 39.5281 175.3965 49 V 4.2686 7.1836 121.8921 60.8043 32.6349 175.8825 50 S 4.3943 8.8046 122.8386 58.6661 63.7802 175.0728 51 R 3.9000 8.8227 121.0840 59.4733 30.7476 176.2818 52 I 4.7387 7.5542 119.3697 59.6429 38.1114 174.6979 53 H 4.3570 9.6437 127.5706 58.8593 31.1088 174.2243 54 A 5.4399 7.5125 116.9785 52.2290 22.7228 175.1346 55 V 4.8549 8.7604 111.5320 59.6189 36.3342 175.0546 56 L 5.2563 8.6286 122.5009 53.0151 44.8815 175.7015 57 V 5.0725 8.7754 123.1636 61.1174 34.1060 174.7342 58 R 4.1672 9.4002 131.5580 56.4796 31.1760 176.3301 59 K 4.6847 8.5543 127.2038 53.4129 36.0496 175.7155 60 S 4.6689 8.6108 119.1055 55.9132 65.0373 174.1289 61 S 4.4828 8.6926 123.8011 57.8811 64.2524 173.8140 62 D 4.6078 8.4703 122.1898 54.1194 40.4139 174.9425 63 D 4.8572 9.3058 124.0364 53.0888 37.5350 171.4727 64 V 4.6338 7.0227 114.3702 59.3205 35.7945 179.6176 65 Q 3.9299 8.5480 119.7010 57.5283 29.2005 176.2660 66 A 4.6588 8.2240 124.5160 51.6519 20.4114 176.2895 67 A 4.6109 8.5913 119.5641 51.0527 23.3038 175.0080 68 Y 4.9624 8.4420 117.2965 56.3866 40.7953 174.6466 69 R 4.9505 8.7274 123.2135 54.5515 33.3611 174.1705 70 I 4.9563 8.9977 126.2083 59.3485 40.4801 173.9945 71 I 4.9982 8.6526 130.2650 59.3400 39.9462 174.7910 72 D 4.5462 8.9116 126.5451 55.4187 42.8529 176.6922 73 G 3.8673 9.0770 111.2239 44.9959 0.0000 171.9009 74 D 5.2269 8.0147 118.0628 51.3174 41.2984 177.0919 75 E 4.1786 8.7992 117.9139 58.9240 29.3551 177.6410 76 D 4.8281 8.3099 117.7451 53.7696 41.2053 176.1075 77 G 4.0544 7.8756 105.4660 46.5445 0.0000 173.8428 78 Q 4.5404 8.1882 118.3647 53.3952 30.1581 176.2504 79 S 4.4467 8.6154 119.4737 58.7319 63.4830 173.8989 80 S 4.6191 8.1275 117.1014 56.8652 65.1271 172.9170 81 V 4.1945 7.7298 118.6515 62.6741 32.3622 175.6283 82 N 4.5762 8.8921 123.9425 53.3925 37.3105 176.8640 83 G 3.8870 6.4537 101.7779 45.5024 0.0000 175.6210 84 L 4.7385 7.9463 129.8329 52.3642 45.6120 174.3676 *86 I 3.9949 7.9140 117.7093 62.3974 38.4694 174.9373 87 N 4.2770 9.8839 123.0963 54.3568 35.9417 175.2947 88 G 3.9800 8.6419 104.5244 45.2463 0.0000 174.0869 89 K 4.6053 7.6322 118.1699 53.9346 35.0226 175.6892 90 K 4.4371 8.5317 123.4595 56.2076 32.7214 176.4173 91 V 4.5174 8.5439 119.5154 60.0838 34.4793 175.5060 92 Q 4.4682 8.7010 120.6164 57.5566 30.5033 175.6010 93 E 5.4852 7.8114 114.7766 54.3818 34.1538 174.8056 94 H 4.6435 8.3721 119.7011 55.3536 33.5845 172.4295 95 I 4.1886 8.2037 127.3349 60.7876 37.5335 175.8139 96 I 3.9617 8.8500 129.7972 61.0832 37.7518 175.6791 97 Q 4.5988 8.7308 126.7301 53.8364 31.9238 174.0997 98 T 4.2196 8.9463 118.3885 63.9795 67.5973 173.1702 99 G 4.1406 9.4360 117.9727 46.0360 0.0000 174.0679 100 D 4.6655 8.5435 119.3998 54.6196 42.1909 175.4771 101 E 5.0450 8.6192 120.8105 54.5742 32.9594 174.5854 102 I 4.5188 9.1921 127.2557 59.6428 40.3059 175.4784 103 V 4.6700 7.8186 126.6024 60.4576 34.3325 174.0762 *105 G 3.7767 8.2103 110.4336 44.1829 0.0000 170.0571 106 P 4.3409 0.0000 0.0000 64.0969 31.2111 176.8727 107 Q 3.8113 9.0762 123.1520 55.9453 27.8005 172.7540 108 V 4.9311 7.6595 116.4858 60.6692 34.5941 174.8032 109 S 4.7898 8.7361 116.9626 57.7978 66.9408 173.6653 110 V 5.0796 9.1720 116.0058 60.2600 35.3344 175.8148 111 R 5.1964 9.0009 123.8548 55.2078 33.5321 173.0357 112 Y 5.3226 8.5231 122.0487 55.8727 42.2456 174.2704 113 E 4.8184 7.8504 122.6435 54.4210 34.7385 173.8580 114 Y 4.5350 8.2309 123.9526 56.1995 39.3734 175.4471 115 R 4.2851 8.4607 129.0189 55.7648 32.7750 177.7226 116 R 4.0487 7.9965 117.5822 57.1750 30.4733 170.5292 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 E 8.30 4.12 0.00 1.85 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 2.08 2.24 0.00 12 H 8.16 5.16 0.00 3.61 3.54 0.00 5.56 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.50 4.94 1.80 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 1.05 0.92 0.86 0.00 0.00 14 L 8.85 5.00 0.00 1.66 1.44 0.94 0.71 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 15 I 9.09 4.70 1.95 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 1.19 0.51 0.89 0.00 0.00 16 I 8.96 4.60 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 1.18 0.65 0.93 0.00 0.00 17 L 8.85 5.11 0.00 1.69 1.56 0.92 0.56 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 18 D 8.49 5.14 0.00 3.11 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 19 D 8.44 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 20 A 7.49 4.30 1.30 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 0.00 0.00 21 G 7.36 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 0.00 0.00 0.00 22 R 8.44 5.21 0.00 1.76 1.74 0.00 3.24 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 23 R 9.01 4.72 0.00 1.85 1.95 0.00 2.74 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 24 E 8.62 5.12 0.00 1.79 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 2.16 2.23 0.00 25 V 8.71 4.37 1.96 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 0.93 0.00 0.00 0.87 0.00 0.00 26 L 8.50 4.75 0.00 1.56 1.64 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.88 4.00 0.00 1.41 1.16 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.86 4.63 4.38 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 1.35 0.00 0.00 29 E 8.52 4.50 0.00 1.27 1.67 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 2.27 2.06 0.00 30 T 8.23 4.34 4.26 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 0.00 0.00 1.24 0.00 0.00 31 F 7.77 5.61 0.00 2.92 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 32 Y 8.11 4.91 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.64 4.71 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 1.20 0.00 0.00 34 I 9.01 4.89 1.94 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 1.09 0.75 0.92 0.00 0.00 35 G 7.93 4.41 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 36 R 8.84 5.07 0.00 1.93 2.09 0.00 3.03 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 37 S 7.92 4.31 0.00 3.91 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 38 P 0.00 4.49 0.00 2.22 2.15 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 39 R 7.77 4.35 0.00 1.85 2.02 0.00 3.34 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 40 A 7.70 4.20 1.30 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 0.00 0.00 41 D 9.54 4.54 0.00 2.88 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 42 I 8.48 4.32 1.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.77 0.82 0.00 0.00 43 R 8.51 4.21 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 44 I 8.76 4.51 1.84 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 1.23 1.02 0.87 0.00 0.00 45 K 8.89 4.62 0.00 1.79 1.67 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.32 7.81 46 S 7.68 4.81 0.00 3.74 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.21 3.90 0.00 1.70 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 48 F 7.00 4.93 0.00 3.05 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 49 V 7.18 4.27 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 0.78 0.00 0.00 0.85 0.00 0.00 50 S 8.80 4.39 0.00 3.97 3.80 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 51 R 8.82 3.90 0.00 1.78 2.01 0.00 3.08 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 52 I 7.55 4.74 1.90 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 1.25 0.90 0.94 0.00 0.00 53 H 9.64 4.36 0.00 3.27 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.51 5.44 1.28 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 0.00 0.00 0.00 55 V 8.76 4.85 1.96 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 0.85 0.00 0.00 1.13 0.00 0.00 56 L 8.63 5.26 0.00 1.63 1.66 0.58 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.78 5.07 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 1.02 0.00 0.00 1.18 0.00 0.00 58 R 9.40 4.17 0.00 1.35 1.80 0.00 3.39 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.00 59 K 8.55 4.68 0.00 1.43 1.59 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.23 7.81 60 S 8.61 4.67 0.00 3.78 3.82 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 61 S 8.69 4.48 0.00 3.86 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 62 D 8.47 4.61 0.00 2.60 2.54 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 63 D 9.31 4.86 0.00 2.88 2.74 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 64 V 7.02 4.63 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 0.87 0.00 0.00 0.93 0.00 0.00 65 Q 8.55 3.93 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 1.99 1.40 0.00 66 A 8.22 4.66 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 67 A 8.59 4.61 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.44 4.96 0.00 2.67 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 69 R 8.73 4.95 0.00 1.87 1.77 0.00 3.05 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 70 I 9.00 4.96 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 1.25 1.47 1.00 0.00 0.00 71 I 8.65 5.00 1.94 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 1.17 0.45 0.99 0.00 0.00 72 D 8.91 4.55 0.00 2.81 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 73 G 9.08 3.87 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 0.00 0.00 0.00 74 D 8.01 5.23 0.00 2.99 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 75 E 8.80 4.18 0.00 2.06 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 0.00 2.47 2.67 0.00 76 D 8.31 4.83 0.00 2.83 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 77 G 7.88 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 78 Q 8.19 4.54 0.00 2.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 79 S 8.62 4.45 0.00 3.85 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 80 S 8.13 4.62 0.00 3.74 3.68 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 81 V 7.73 4.19 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 0.82 0.00 0.00 0.96 0.00 0.00 82 N 8.89 4.58 0.00 3.00 3.22 0.00 0.00 7.25 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 83 G 6.45 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 84 L 7.95 4.74 0.00 1.90 1.57 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *86 I 7.91 3.99 1.77 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 1.28 1.19 0.83 0.00 0.00 87 N 9.88 4.28 0.00 2.89 2.87 0.00 0.00 7.18 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 88 G 8.64 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 89 K 7.63 4.61 0.00 1.83 1.69 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 90 K 8.53 4.44 0.00 1.70 1.72 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.64 7.81 91 V 8.54 4.52 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 0.79 0.00 0.00 0.93 0.00 0.00 92 Q 8.70 4.47 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 93 E 7.81 5.49 0.00 1.80 1.80 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 2.22 2.14 0.00 94 H 8.37 4.64 0.00 3.23 3.12 0.00 5.86 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.20 4.19 1.76 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 1.30 0.60 0.84 0.00 0.00 96 I 8.85 3.96 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.53 0.00 0.00 97 Q 8.73 4.60 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 98 T 8.95 4.22 4.27 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 1.29 0.00 0.00 99 G 9.44 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 0.00 0.00 0.00 100 D 8.54 4.67 0.00 2.85 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 0.00 101 E 8.62 5.04 0.00 1.93 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 2.18 2.32 0.00 102 I 9.19 4.52 1.87 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 1.08 0.50 0.91 0.00 0.00 103 V 7.82 4.67 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 0.93 0.00 0.00 *105 G 8.21 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.34 0.00 2.07 1.99 0.00 3.86 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 107 Q 9.08 3.81 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 108 V 7.66 4.93 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 0.82 0.00 0.00 0.92 0.00 0.00 109 S 8.74 4.79 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 0.00 110 V 9.17 5.08 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 0.68 0.00 0.00 0.98 0.00 0.00 111 R 9.00 5.20 0.00 1.44 1.74 0.00 3.20 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 112 Y 8.52 5.32 0.00 2.94 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 0.00 113 E 7.85 4.82 0.00 1.72 1.57 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 2.13 1.99 0.00 114 Y 8.23 4.53 0.00 2.81 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 0.00 115 R 8.46 4.29 0.00 1.54 1.73 0.00 3.08 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 116 R 8.00 4.05 0.00 1.76 1.60 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.