NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4197 8.3149 120.0848 55.8111 34.6452 174.8227 4 I 4.5874 7.4243 120.8589 58.8287 40.9486 173.7853 5 R 5.5135 9.2252 128.0800 54.9926 33.4085 174.7077 6 I 4.8588 7.6827 109.5767 61.2929 40.3204 173.5330 7 K 4.6729 8.4292 128.4381 55.4252 33.5665 175.7972 8 L 5.3515 9.1559 126.2931 52.1649 43.1676 175.1130 9 R 4.7840 8.5068 124.5800 57.6844 32.7459 175.6226 10 G 3.4792 8.7729 112.7599 45.9266 0.0000 171.7593 11 F 4.9508 7.3450 115.5934 58.5751 41.0027 175.6457 12 D 4.3917 8.1036 120.1342 55.1476 41.1448 177.0664 13 H 4.4077 8.9328 120.6723 56.6316 28.2181 176.6010 14 K 4.0633 8.0347 122.1658 59.1238 32.7259 178.4633 15 T 3.8687 7.4797 108.8314 65.7715 68.3544 175.0931 16 L 3.9604 8.0383 123.0277 56.6871 41.8471 177.6653 17 D 4.4800 7.9661 120.1917 58.2067 41.5147 178.3712 18 A 4.1725 8.5527 122.4036 53.9011 18.4381 179.1776 19 S 4.0091 8.4713 110.7104 61.4366 63.1662 176.8340 20 A 4.0054 8.4428 124.4355 54.9409 17.8378 178.5886 21 Q 4.2924 7.8740 114.7374 56.5544 29.0555 176.4942 22 K 4.3284 7.9896 121.1161 57.5751 34.0563 177.1649 23 I 4.3687 7.1199 118.6052 60.5182 36.0983 175.8514 24 V 4.4136 7.3289 118.5967 64.0531 36.8776 176.0644 25 E 4.0818 8.2899 118.7962 58.6108 29.8857 178.1793 26 A 4.8027 7.7483 118.8549 52.2266 18.7714 177.7807 27 A 4.6297 7.7818 121.3740 54.2573 23.0479 179.0042 28 R 4.3254 7.6091 112.8946 56.9630 30.8497 177.5182 29 R 4.1920 7.7217 117.5347 57.5129 30.4923 176.9553 30 S 4.5175 8.1370 110.8604 58.4783 64.5106 174.3154 31 G 4.3543 7.3576 107.4873 42.3110 0.0000 172.5297 32 A 3.6801 8.2305 119.1830 55.3323 18.0782 177.8826 33 Q 4.5589 8.1869 111.4389 52.9870 33.3202 174.9773 34 V 4.6851 8.0941 120.5286 59.0674 30.7961 173.8246 35 S 3.8835 8.1576 118.6830 56.8120 63.6673 175.2731 36 G 4.0196 8.6583 113.0079 45.0612 0.0000 170.8367 37 P 4.7172 0.0000 0.0000 62.3766 31.8360 176.0114 38 I 4.4858 8.8018 120.1009 58.4777 39.9155 173.0209 39 P 5.0640 0.0000 0.0000 61.1790 31.7845 175.4761 40 L 4.4177 8.4768 125.6021 54.0891 41.6669 175.0625 41 P 4.0781 0.0000 0.0000 63.9349 31.2080 176.2831 42 T 4.1014 8.3367 118.1887 63.0433 67.9230 174.1538 43 R 3.9592 8.5805 125.5501 56.9491 31.2851 175.7413 44 V 4.4122 8.3503 122.2251 61.2897 34.1627 175.7685 45 R 4.4756 7.9848 125.1533 54.2426 31.0192 173.4884 46 R 4.0897 7.8625 120.4474 55.5391 31.5168 176.0984 47 F 5.0216 9.1296 122.2338 56.1445 41.2453 174.2851 48 T 4.5333 8.4963 120.3275 63.0269 69.8760 174.5789 49 V 4.4346 7.9880 121.7352 60.8254 35.1737 172.7539 50 I 4.0442 8.3260 122.9576 61.4233 37.1481 176.4507 51 R 4.0224 8.2328 124.8791 58.8015 30.8929 177.3036 52 G 3.8799 7.8444 106.9752 45.4570 0.0000 171.6461 53 P 4.8460 0.0000 0.0000 62.5667 33.2674 175.5691 54 F 5.2595 8.4385 118.4655 58.5644 39.2653 175.8535 55 K 4.5290 9.1276 112.9584 56.9657 33.7628 177.6167 56 H 4.7412 7.9312 118.3682 55.0204 27.4354 175.9049 57 K 4.1277 8.2367 118.6759 57.6393 32.3329 176.1647 58 D 4.8804 7.6437 118.9772 54.3290 44.2622 174.9489 59 S 3.7189 8.5540 110.4143 60.0310 62.5162 172.6725 60 R 4.3987 7.5712 124.9621 57.6953 31.4047 175.4207 61 E 4.7154 8.2738 119.7334 56.5760 33.4916 175.1638 62 H 4.8227 8.1806 120.0636 54.1240 31.9397 171.9388 63 F 5.1590 8.4405 114.8677 55.6926 42.1196 172.2446 64 E 4.4300 8.6039 115.8664 55.0298 33.1858 175.0476 65 L 4.2769 8.2000 122.4621 53.4585 42.6698 174.5236 66 R 4.4779 8.1581 124.4157 55.3020 28.8070 173.9585 67 T 4.5800 8.1586 116.6613 62.1301 68.1402 173.6960 68 H 4.8790 9.0433 126.4512 54.9846 30.7761 173.6803 69 N 5.1870 8.1734 115.7004 51.8723 42.9686 174.1319 70 R 4.5128 7.7162 114.5205 55.7954 34.4592 172.9019 71 L 5.0797 8.8271 128.1087 53.3138 45.6351 175.2458 72 V 4.7126 8.4802 124.3324 61.4910 35.1228 173.4027 73 D 5.3012 8.4890 127.2758 52.4632 43.0759 175.1919 74 I 4.6415 8.2220 115.3227 59.7351 39.9296 175.8781 75 I 4.4308 8.0302 115.6719 61.4524 39.7753 175.0809 76 N 4.7096 8.0416 121.1234 51.2229 38.9908 173.0869 77 P 4.6151 0.0000 0.0000 61.1204 30.2055 175.7115 78 N 5.1346 8.1025 120.0014 50.3123 41.4659 175.7737 79 R 3.8926 8.5230 120.9948 59.1985 30.3147 178.6257 80 K 4.0022 8.1320 118.3172 59.9866 32.2204 178.1796 81 T 4.7348 7.7228 110.2573 64.6209 69.0387 176.2078 82 I 3.6696 7.8127 123.1358 62.4382 37.4206 177.4118 83 E 4.0831 8.3436 121.1724 58.7455 29.8408 177.8427 84 Q 4.2283 7.7462 114.3662 56.4244 28.5163 176.3357 85 L 4.4860 7.7794 116.6880 56.7815 44.0613 177.9431 86 M 4.3828 8.1487 115.0620 56.5293 31.9189 176.1149 87 T 4.3048 7.5803 105.1741 63.3036 70.4291 174.6583 88 L 4.0796 7.8198 131.8325 54.0595 41.1381 175.5715 89 D 5.0487 7.9534 125.0676 53.0880 43.4049 176.7982 90 L 4.3062 7.7909 116.5342 54.0801 43.0461 174.1581 91 P 4.4071 0.0000 0.0000 62.3546 30.1323 176.1567 92 T 3.5472 8.5331 120.5213 64.7465 67.2858 174.3761 93 G 4.5862 6.9877 112.8775 45.2813 0.0000 172.7206 94 V 4.1002 7.7102 119.5480 61.5106 33.5572 174.4356 95 E 4.8135 8.4314 124.1533 54.4044 32.6543 174.4287 96 I 4.7830 8.0505 116.0276 59.3131 40.2817 174.0455 97 E 4.6081 8.8986 127.0813 54.5022 31.7707 175.0857 98 I 4.5791 8.4011 125.5524 59.7653 38.4787 175.0144 99 K 4.9297 8.4696 124.8924 55.0381 36.7142 175.6138 100 T 4.7817 8.2754 112.6493 61.1934 71.8414 174.8011 *101 V 3.9074 8.2415 118.9551 61.2137 32.4044 176.2577 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 3 K 8.31 4.42 0.00 1.66 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 4 I 7.42 4.59 1.87 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 1.11 1.38 0.97 0.00 0.00 5 R 9.23 5.51 0.00 1.85 1.92 0.00 3.17 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 6 I 7.68 4.86 1.86 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 1.20 0.88 0.95 0.00 0.00 7 K 8.43 4.67 0.00 1.69 1.78 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.40 7.81 8 L 9.16 5.35 0.00 1.53 1.56 0.91 1.05 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 9 R 8.51 4.78 0.00 1.59 1.54 0.00 3.13 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 G 8.77 3.48 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 0.00 0.00 0.00 0.00 11 F 7.34 4.95 0.00 3.08 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 12 D 8.10 4.39 0.00 2.78 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 13 H 8.93 4.41 0.00 3.15 3.05 0.00 5.49 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.03 4.06 0.00 2.10 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.40 1.52 7.81 15 T 7.48 3.87 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 1.29 0.00 0.00 16 L 8.04 3.96 0.00 1.69 1.58 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.97 4.48 0.00 2.90 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 18 A 8.55 4.17 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.47 4.01 0.00 4.06 4.15 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 0.00 0.00 0.00 20 A 8.44 4.01 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 21 Q 7.87 4.29 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 22 K 7.99 4.33 0.00 1.80 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.58 7.81 23 I 7.12 4.37 1.86 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 1.17 0.82 0.90 0.00 0.00 24 V 7.33 4.41 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 1.00 0.00 0.00 0.93 0.00 0.00 25 E 8.29 4.08 0.00 1.98 1.95 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 2.27 2.38 0.00 26 A 7.75 4.80 1.26 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 0.00 0.00 0.00 27 A 7.78 4.63 1.25 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 0.00 0.00 0.00 28 R 7.61 4.33 0.00 1.96 1.98 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 29 R 7.72 4.19 0.00 1.74 2.16 0.00 3.23 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 30 S 8.14 4.52 0.00 4.00 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 31 G 7.36 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 0.00 0.00 0.00 0.00 32 A 8.23 3.68 1.23 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 0.00 0.00 33 Q 8.19 4.56 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 34 V 8.09 4.69 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 1.14 0.00 0.00 0.97 0.00 0.00 35 S 8.16 3.88 0.00 4.04 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 36 G 8.66 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 37 P 0.00 4.72 0.00 1.94 2.02 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 38 I 8.80 4.49 1.87 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 1.39 1.30 0.91 0.00 0.00 39 P 0.00 5.06 0.00 2.09 2.14 0.00 3.51 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 40 L 8.48 4.42 0.00 1.68 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.08 0.00 2.19 2.14 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 42 T 8.34 4.10 4.17 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 0.95 0.00 0.00 43 R 8.58 3.96 0.00 1.75 1.90 0.00 3.24 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 44 V 8.35 4.41 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 0.71 0.00 0.00 0.96 0.00 0.00 45 R 7.98 4.48 0.00 1.97 1.51 0.00 3.77 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 46 R 7.86 4.09 0.00 1.56 1.68 0.00 3.05 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.45 0.00 47 F 9.13 5.02 0.00 3.16 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 48 T 8.50 4.53 4.28 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 1.22 0.00 0.00 49 V 7.99 4.43 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 0.71 0.00 0.00 0.98 0.00 0.00 50 I 8.33 4.04 1.90 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 1.43 0.82 0.96 0.00 0.00 51 R 8.23 4.02 0.00 1.80 1.93 0.00 3.42 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 G 7.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.85 0.00 2.20 2.18 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 54 F 8.44 5.26 0.00 2.87 2.59 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 55 K 9.13 4.53 0.00 1.59 1.38 0.00 0.75 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 1.10 7.81 56 H 7.93 4.74 0.00 3.24 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.24 4.13 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.39 7.81 58 D 7.64 4.88 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 3.72 0.00 4.02 4.03 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 60 R 7.57 4.40 0.00 1.74 2.08 0.00 3.21 0.00 0.00 3.13 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 61 E 8.27 4.72 0.00 1.93 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 1.52 2.04 0.00 62 H 8.18 4.82 0.00 3.08 3.03 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.44 5.16 0.00 2.95 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 64 E 8.60 4.43 0.00 1.64 1.63 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 2.09 2.20 0.00 65 L 8.20 4.28 0.00 1.90 1.59 0.22 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.16 4.48 0.00 1.75 1.88 0.00 3.27 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 67 T 8.16 4.58 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 H 9.04 4.88 0.00 3.11 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.17 5.19 0.00 2.78 2.68 0.00 0.00 6.69 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 70 R 7.72 4.51 0.00 1.93 1.80 0.00 3.07 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 71 L 8.83 5.08 0.00 1.73 1.57 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.48 4.71 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 0.96 0.00 0.00 0.93 0.00 0.00 73 D 8.49 5.30 0.00 2.73 2.49 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 74 I 8.22 4.64 1.87 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 1.46 0.89 0.91 0.00 0.00 75 I 8.03 4.43 1.87 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 1.40 0.72 1.01 0.00 0.00 76 N 8.04 4.71 0.00 2.69 2.82 0.00 0.00 7.01 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 77 P 0.00 4.62 0.00 2.08 1.99 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 78 N 8.10 5.13 0.00 2.96 2.88 0.00 0.00 6.97 7.54 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 79 R 8.52 3.89 0.00 1.80 2.03 0.00 3.41 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 8.13 4.00 0.00 1.74 1.87 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 81 T 7.72 4.73 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 1.20 0.00 0.00 82 I 7.81 3.67 1.87 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 1.65 1.31 0.91 0.00 0.00 83 E 8.34 4.08 0.00 2.01 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 2.26 2.33 0.00 84 Q 7.75 4.23 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.45 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 85 L 7.78 4.49 0.00 1.66 1.58 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.15 4.38 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 87 T 7.58 4.30 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 1.25 0.00 0.00 88 L 7.82 4.08 0.00 1.60 1.66 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.95 5.05 0.00 2.67 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 90 L 7.79 4.31 0.00 1.55 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.41 0.00 2.30 2.21 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 92 T 8.53 3.55 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 1.21 0.00 0.00 93 G 6.99 4.59 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 94 V 7.71 4.10 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 0.80 0.00 0.00 0.90 0.00 0.00 95 E 8.43 4.81 0.00 2.04 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 0.00 2.24 2.30 0.00 96 I 8.05 4.78 1.86 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 1.33 1.10 0.89 0.00 0.00 97 E 8.90 4.61 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 98 I 8.40 4.58 1.86 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 1.34 0.43 0.91 0.00 0.00 99 K 8.47 4.93 0.00 1.66 1.63 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.50 7.81 100 T 8.28 4.78 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 1.28 0.00 0.00 *101 V 8.24 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.