NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4138 8.3349 115.4137 57.4513 65.0839 174.4239 2 L 4.3566 7.5551 128.6894 50.1949 42.8388 174.6719 3 S 4.5145 9.1479 119.7499 56.7064 63.0062 173.4631 4 I 4.4868 8.0620 127.7696 60.8762 40.1975 177.2901 5 G 4.1030 9.4290 109.5541 44.4593 0.0000 171.8582 6 R 4.8924 8.7316 114.7096 54.8316 33.6291 175.7184 7 T 4.5865 8.5138 107.1456 62.4389 70.0799 173.7109 8 C 5.3778 7.5449 122.0181 58.2185 34.7130 172.7838 9 W 5.2965 9.5912 124.3741 55.2122 33.7662 173.7729 10 A 5.1912 8.7024 122.1709 50.4934 22.1100 175.7392 11 I 4.3984 8.8598 122.0127 59.3425 39.4430 176.6745 12 A 3.8143 8.8213 131.2273 54.2892 18.6420 176.8465 13 E 4.3506 7.5036 115.4457 54.9723 31.8583 175.9545 14 G 2.6228 8.9086 108.1515 45.5867 0.0000 171.8903 15 Y 5.3683 7.9340 125.0332 56.8619 43.2710 172.8542 16 I 4.6357 7.7392 127.0404 58.7029 40.0456 173.4656 17 P 4.4947 0.0000 0.0000 61.5765 31.8313 175.1013 18 P 4.1344 0.0000 0.0000 64.7380 31.9340 176.6514 *29 S 4.0212 7.6741 111.9534 58.2141 64.0505 173.5076 30 H 4.2300 8.3286 117.3955 57.0589 27.7725 175.1176 31 E 4.3082 8.8724 123.6434 57.4274 29.2447 175.9137 32 T 4.9767 8.3207 119.6644 61.3999 72.9935 174.0045 33 V 4.1537 8.4695 124.4105 61.3475 33.7006 174.0665 34 C 4.6945 8.4764 126.9212 59.0813 29.5788 173.1493 35 I 4.9127 8.5431 123.8258 59.2590 40.7884 174.2157 36 L 4.8987 8.6988 127.1026 53.3498 45.5647 174.8427 37 N 5.2533 9.3279 123.9589 51.7411 40.7117 173.6185 38 A 4.5068 8.5297 125.2506 51.9636 20.2553 177.0090 39 G 4.0351 7.8543 104.8486 45.8143 0.0000 174.4096 40 D 4.8095 8.6644 117.6439 54.3026 41.3738 176.2100 41 E 4.7656 7.6400 120.1467 53.8425 32.1382 175.2252 42 D 4.6224 8.8339 125.6317 54.7076 41.9886 175.4591 43 A 4.6180 9.3150 124.8898 51.0001 20.7778 175.9736 44 H 4.9835 9.5028 121.9429 54.7954 28.9699 174.4710 45 V 4.3917 8.5510 123.8509 62.2799 33.4448 174.5324 46 E 5.0448 9.2890 125.8683 54.9034 33.0273 174.5198 47 I 5.1314 8.7158 125.9356 59.9776 39.9933 174.9976 48 T 4.9815 8.8769 122.3626 61.8817 72.0143 172.8537 49 I 4.9046 8.0226 126.5465 60.0063 39.4804 174.4300 50 Y 4.9089 9.4400 124.8317 56.4808 41.1076 174.2012 51 Y 5.3188 8.4833 118.2936 56.3247 41.8160 175.7201 52 S 4.5713 9.1154 113.9221 59.5464 63.8120 174.5851 53 D 4.8147 8.1730 117.5795 52.1620 40.7958 174.9596 54 K 4.6824 7.8449 116.9904 54.2231 35.4711 175.2363 55 E 4.2665 8.4433 118.5507 55.4603 29.9924 175.3160 56 P 4.3847 0.0000 0.0000 62.8552 31.9152 176.2320 57 V 4.0262 9.0829 124.2542 63.2412 32.6562 174.9238 58 G 3.8843 7.8965 114.7993 41.0000 0.0000 171.4552 59 P 4.6228 0.0000 0.0000 63.0274 31.9792 176.3848 60 Y 4.3802 9.2752 124.4087 56.7223 38.5812 175.6422 61 R 4.7530 8.5121 123.5732 56.1596 31.4698 175.8513 62 L 4.4623 7.9224 120.9485 55.0463 46.3572 173.1150 63 T 5.1904 8.6167 119.0023 61.7103 72.4440 173.6312 64 V 4.3200 8.9490 125.3291 60.3594 33.7474 173.3436 65 P 4.9323 0.0000 0.0000 62.0605 32.2012 176.2660 66 A 4.1112 8.7991 123.7311 52.4660 18.7616 178.1470 67 R 3.7799 8.2998 120.2127 56.8219 28.3927 175.3628 68 R 4.7456 8.0080 114.5942 55.4424 35.7707 175.2100 69 T 5.0277 8.1496 114.0629 60.6370 71.2176 173.1382 70 K 4.3698 9.0496 124.8710 55.9624 35.8388 173.8560 71 H 4.8689 8.9456 125.6207 54.8893 30.1288 174.8338 72 V 4.2339 8.3674 123.5179 60.9123 34.0145 174.9156 73 R 4.5516 8.4145 127.8586 55.6400 30.9732 177.7243 74 F 4.1351 9.1791 122.5909 60.6054 39.2398 177.1006 75 N 4.2825 8.4364 117.7492 56.8402 38.6599 175.3178 76 D 4.5602 7.7331 115.5775 55.7879 41.1849 176.6932 77 L 4.3775 8.0850 121.6012 54.7384 42.4264 177.1954 78 N 5.0671 8.8531 115.9630 52.5176 41.2484 173.3925 79 D 5.1099 7.9985 117.9966 51.3541 43.4425 173.4209 80 P 4.1915 0.0000 0.0000 65.2156 31.4849 176.1704 81 A 5.0889 6.9597 116.2706 49.6893 22.1143 173.8349 82 P 4.8471 0.0000 0.0000 61.8223 32.1214 176.4552 83 I 4.1158 8.0541 121.8294 59.5548 37.6993 174.4025 84 P 4.1541 0.0000 0.0000 63.3258 31.4949 176.1839 85 H 4.3979 8.6493 120.1180 55.5689 29.6359 173.7670 86 D 4.3008 8.3706 117.0681 54.2851 39.9474 173.8167 87 T 4.8016 7.6016 111.9745 61.7136 72.3352 173.6075 88 D 5.1344 9.1198 126.9733 54.2893 41.5397 175.4370 89 F 5.2215 9.1709 118.4482 55.1827 42.1077 173.1072 90 A 4.7526 8.8162 118.9275 50.7000 23.0002 175.1089 91 S 5.8510 8.9490 112.6703 56.3427 67.6935 173.2276 92 V 4.8952 8.4455 118.9470 61.5156 34.6310 173.5951 93 I 5.0953 9.1106 129.3201 59.9149 39.3665 174.9095 94 Q 5.3124 8.9737 124.6139 54.6149 33.0259 174.1686 95 S 5.2415 8.8837 114.4901 57.4658 65.3369 173.9192 96 N 4.6677 8.9422 121.4432 54.9191 37.9293 175.3369 97 V 4.6386 7.6847 111.0481 58.2340 35.4071 174.1140 98 P 4.6469 0.0000 0.0000 63.4866 31.8500 175.7045 99 I 4.8480 9.0359 116.0445 59.5110 41.8987 173.6550 100 V 4.4421 8.3830 122.8782 61.0368 33.5391 174.4678 101 V 4.3661 5.6805 126.8106 60.8719 34.0715 174.2264 102 Q 4.5368 8.6176 127.0687 54.9018 33.0762 173.2823 103 H 4.8627 8.5704 124.3231 55.0299 32.6683 173.1851 104 T 3.8832 8.5150 123.2314 63.4925 68.9402 174.8614 105 R 3.9717 8.6997 125.1514 56.5705 31.0673 177.3372 106 L 3.4871 8.9131 125.6236 58.4978 41.6998 178.6779 107 D 4.3790 8.0793 117.4020 55.5993 39.7850 177.7968 108 S 4.4622 7.6967 115.8921 60.3730 63.5126 175.7684 109 R 3.8630 8.6602 122.6272 59.9803 29.9284 178.4288 110 Q 4.0945 7.9407 116.4450 58.0062 28.3828 178.2278 111 A 4.1470 7.9541 122.3089 54.7850 18.2524 179.3393 112 E 3.9019 7.9329 117.2406 59.1613 29.4375 178.3289 113 N 4.8458 7.4970 111.1086 53.6231 38.4406 175.3630 114 A 4.5634 7.6183 122.2853 53.8988 20.6478 179.2845 115 L 4.5209 7.1977 116.8822 57.2769 41.8368 179.1831 116 L 4.1025 7.9835 119.5698 57.9852 42.2031 179.0867 117 S 4.3882 7.8844 115.0437 60.9820 64.1070 174.2814 118 T 4.4653 7.9391 116.7709 62.1820 65.6833 174.0053 119 I 4.5420 7.6443 123.8855 61.7356 42.1462 175.0039 120 A 4.3123 7.5402 127.9373 52.1240 18.9300 176.6113 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 1 S 8.33 4.41 0.00 4.00 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 2 L 7.56 4.36 0.00 1.81 1.62 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.15 4.51 0.00 3.99 3.92 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 4 I 8.06 4.49 1.91 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 1.37 0.74 0.96 0.00 0.00 5 G 9.43 4.10 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 0.00 0.00 0.00 6 R 8.73 4.89 0.00 1.66 1.83 0.00 2.26 0.00 0.00 2.57 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.76 0.00 7 T 8.51 4.59 4.45 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 1.28 0.00 0.00 8 C 7.54 5.38 0.00 2.94 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 9 W 9.59 5.30 0.00 3.27 3.09 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 10 A 8.70 5.19 1.15 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 0.00 0.00 11 I 8.86 4.40 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.76 0.00 0.00 12 A 8.82 3.81 1.22 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 0.00 0.00 0.00 13 E 7.50 4.35 0.00 1.87 1.73 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 2.19 2.25 0.00 14 G 8.91 2.62 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.93 5.37 0.00 2.93 2.78 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 16 I 7.74 4.64 1.61 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 1.43 0.61 0.63 0.00 0.00 17 P 0.00 4.49 0.00 2.03 2.02 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 18 P 0.00 4.13 0.00 2.06 2.15 0.00 3.75 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 2.09 2.14 0.00 *29 S 7.67 4.02 0.00 4.00 4.13 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 30 H 8.33 4.23 0.00 3.28 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.87 4.31 0.00 2.07 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 0.00 2.50 2.61 0.00 32 T 8.32 4.98 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 1.19 0.00 0.00 33 V 8.47 4.15 1.72 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 0.85 0.00 0.00 0.45 0.00 0.00 34 C 8.48 4.69 0.00 2.75 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 35 I 8.54 4.91 1.78 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 0.93 0.68 0.80 0.00 0.00 36 L 8.70 4.90 0.00 1.66 1.37 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.33 5.25 0.00 2.75 2.74 0.00 0.00 6.90 7.70 0.00 0.00 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 A 8.53 4.51 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 39 G 7.85 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.66 4.81 0.00 2.68 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 41 E 7.64 4.77 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 2.12 2.27 0.00 42 D 8.83 4.62 0.00 2.56 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 43 A 9.32 4.62 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 44 H 9.50 4.98 0.00 3.19 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.55 4.39 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 1.00 0.00 0.00 0.95 0.00 0.00 46 E 9.29 5.04 0.00 1.97 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 2.27 2.31 0.00 47 I 8.72 5.13 1.95 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 1.30 0.81 1.01 0.00 0.00 48 T 8.88 4.98 4.44 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 0.88 0.00 0.00 49 I 8.02 4.90 1.73 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 0.91 0.73 0.31 0.00 0.00 50 Y 9.44 4.91 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.48 5.32 0.00 3.07 2.89 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 52 S 9.12 4.57 0.00 4.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.81 0.00 2.75 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 54 K 7.84 4.68 0.00 1.83 1.78 0.00 1.35 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.18 1.29 7.81 55 E 8.44 4.27 0.00 2.00 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 2.35 2.30 0.00 56 P 0.00 4.38 0.00 1.66 0.99 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 57 V 9.08 4.03 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 1.05 0.00 0.00 1.26 0.00 0.00 58 G 7.90 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 59 P 0.00 4.62 0.00 1.95 2.07 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 60 Y 9.28 4.38 0.00 3.04 2.98 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 61 R 8.51 4.75 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 62 L 7.92 4.46 0.00 1.65 1.48 0.90 1.07 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 63 T 8.62 5.19 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 1.33 0.00 0.00 64 V 8.95 4.32 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 0.97 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.93 0.00 1.97 1.97 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 66 A 8.80 4.11 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 67 R 8.30 3.78 0.00 1.95 1.97 0.00 3.16 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 68 R 8.01 4.75 0.00 1.89 1.76 0.00 3.22 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 69 T 8.15 5.03 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 70 K 9.05 4.37 0.00 1.77 1.57 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.39 7.81 71 H 8.95 4.87 0.00 2.97 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.37 4.23 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 0.79 0.00 0.00 0.85 0.00 0.00 73 R 8.41 4.55 0.00 2.00 1.84 0.00 3.14 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 74 F 9.18 4.14 0.00 3.22 3.05 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 75 N 8.44 4.28 0.00 2.71 2.90 0.00 0.00 7.00 8.47 0.00 0.00 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 D 7.73 4.56 0.00 2.88 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 77 L 8.08 4.38 0.00 2.01 1.61 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.85 5.07 0.00 2.92 3.03 0.00 0.00 5.67 8.07 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 79 D 8.00 5.11 0.00 2.57 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 80 P 0.00 4.19 0.00 1.77 1.93 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 81 A 6.96 5.09 1.19 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 0.00 0.00 82 P 0.00 4.85 0.00 2.06 2.02 0.00 3.74 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 83 I 8.05 4.12 1.67 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.11 0.30 0.00 0.00 84 P 0.00 4.15 0.00 1.99 1.95 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 85 H 8.65 4.40 0.00 3.07 3.15 0.00 5.87 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 86 D 8.37 4.30 0.00 2.73 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 87 T 7.60 4.80 4.56 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 1.41 0.00 0.00 88 D 9.12 5.13 0.00 2.66 2.66 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 89 F 9.17 5.22 0.00 2.70 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 90 A 8.82 4.75 1.18 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 91 S 8.95 5.85 0.00 4.11 4.08 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 92 V 8.45 4.90 2.35 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 1.17 0.00 0.00 0.93 0.00 0.00 93 I 9.11 5.10 2.03 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 1.25 0.58 0.96 0.00 0.00 94 Q 8.97 5.31 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 95 S 8.88 5.24 0.00 3.92 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 96 N 8.94 4.67 0.00 2.79 2.97 0.00 0.00 5.85 7.68 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 97 V 7.68 4.64 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 0.71 0.00 0.00 0.93 0.00 0.00 98 P 0.00 4.65 0.00 1.99 2.25 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 9.04 4.85 1.93 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 0.73 0.96 0.00 0.00 100 V 8.38 4.44 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 0.86 0.00 0.00 0.99 0.00 0.00 101 V 5.68 4.37 0.72 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 0.61 0.00 0.00 0.20 0.00 0.00 102 Q 8.62 4.54 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.49 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 103 H 8.57 4.86 0.00 3.18 3.13 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.52 3.88 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 1.21 0.00 0.00 105 R 8.70 3.97 0.00 1.86 2.10 0.00 3.16 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 106 L 8.91 3.49 0.00 1.78 1.69 1.06 1.26 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 0.00 107 D 8.08 4.38 0.00 2.85 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 0.00 108 S 7.70 4.46 0.00 4.01 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 0.00 109 R 8.66 3.86 0.00 1.72 1.95 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 110 Q 7.94 4.09 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 111 A 7.95 4.15 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 0.00 112 E 7.93 3.90 0.00 2.12 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 0.00 2.31 2.59 0.00 113 N 7.50 4.85 0.00 2.88 2.83 0.00 0.00 6.81 7.23 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 0.00 114 A 7.62 4.56 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 0.00 115 L 7.20 4.52 0.00 1.63 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.98 4.10 0.00 1.88 1.68 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.39 0.00 4.10 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 0.00 118 T 7.94 4.47 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 0.00 119 I 7.64 4.54 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 1.50 0.78 0.91 0.00 0.00 120 A 7.54 4.31 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 * Residues marked with a * may have inaccurate shift predictions.