NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 P 4.6790 0.0000 0.0000 62.2917 33.7182 174.9548 20 K 4.6784 10.2549 125.3081 54.9097 33.5190 170.4880 21 V 4.6868 8.9713 126.0623 60.9168 34.6701 173.5348 22 L 4.9692 8.7696 130.3803 53.7072 43.8933 174.8856 23 I 4.7906 8.9477 128.3554 59.7792 39.5128 174.7500 24 V 4.7590 8.4971 128.6469 61.2471 33.2581 174.2049 25 E 4.8065 8.5962 125.8173 55.5526 33.0127 176.2157 26 N 4.5430 8.9980 123.9702 55.6064 38.9770 175.3913 27 S 4.3547 8.1937 113.8663 57.0132 62.6335 173.6983 28 W 4.3952 8.9959 126.3653 59.8474 28.4058 178.5402 29 T 3.2635 6.5023 105.1838 61.9403 67.7933 175.5546 *31 R 4.1749 8.0702 124.0310 56.9218 31.8978 177.1741 32 E 4.0532 8.3921 118.1805 59.3317 29.5204 178.9593 33 T 3.8252 7.7583 115.7181 66.5850 68.4663 176.6729 34 L 3.9670 7.7827 120.3566 57.6233 41.7231 179.1104 35 R 3.8980 7.8683 118.5487 59.7434 29.7913 178.5579 36 L 4.0379 7.7130 117.0603 57.8380 41.6909 179.3022 37 L 4.1562 7.9269 118.0257 57.3196 41.8862 178.7791 38 L 4.5316 8.3139 117.9964 56.0233 41.7832 178.7453 39 S 4.6989 7.4786 116.3186 60.1988 62.7192 176.5267 40 G 3.8091 8.1277 108.0681 47.1519 0.0000 174.1021 41 E 4.4747 7.7209 115.7517 54.9324 30.2112 175.1928 42 F 5.0475 8.0456 117.5680 56.2908 43.8865 173.7005 43 D 4.9648 9.3610 122.9965 53.4200 41.1129 174.2128 44 C 5.0407 8.4819 122.4579 59.0448 29.6327 173.1180 45 T 4.7669 9.1836 119.9347 62.0365 71.3851 173.1858 46 T 5.1973 8.4227 117.8088 60.4467 70.8295 172.7932 47 A 4.8220 9.0867 128.5404 50.3358 22.3731 177.1565 48 A 4.2292 9.1706 123.5583 53.7495 19.0991 176.6292 49 D 4.6183 7.6605 114.5632 50.9819 43.2003 176.4771 50 G 3.6390 8.6104 106.1459 47.9864 0.0000 175.2417 51 A 4.0327 8.1130 123.3290 55.0955 18.3059 179.5385 52 S 4.4541 8.5343 113.0404 60.9115 62.3923 176.5285 53 G 3.6542 8.3913 108.8612 47.7795 0.0000 175.4134 54 L 4.1269 8.7619 123.4287 57.8488 41.8245 179.0256 55 Q 3.9800 8.0475 117.8929 59.2319 28.6924 178.9040 56 Q 4.0302 8.1581 118.7197 58.7574 28.5777 178.7009 57 A 4.0022 8.2785 121.8689 55.3060 18.2771 179.4694 58 L 3.8208 7.7552 115.7332 57.9734 41.7725 179.4808 59 A 4.3425 7.6162 118.8406 54.2171 19.0151 177.6693 60 H 4.6009 8.1762 115.5731 53.0946 30.4420 170.5884 61 P 4.3892 0.0000 0.0000 61.3942 31.5999 175.1925 62 P 4.6915 0.0000 0.0000 62.2076 32.5107 175.6927 63 D 4.7771 8.7025 118.6842 56.5272 41.4715 177.5472 64 V 4.5723 7.4866 115.6856 60.5191 34.6152 171.9883 65 L 5.0535 8.6258 125.0875 53.3871 44.8916 174.8936 66 I 4.9316 8.8499 126.4631 59.6244 40.0324 174.5781 67 S 5.3342 9.0842 121.0394 55.6788 66.2836 172.6372 68 D 5.2464 8.3322 123.7294 53.4716 42.2638 175.5029 69 V 3.5721 8.0395 119.8283 64.5157 32.5548 175.0147 70 N 4.7244 7.8157 117.5104 52.8461 39.5570 174.4696 *72 D 4.6409 8.7750 122.4358 53.9983 42.7720 176.4019 73 G 3.7917 7.9136 104.3438 46.0870 0.0000 173.2599 *75 D 4.5628 7.7324 119.5901 52.5918 41.7805 176.2743 76 G 3.2172 8.4212 107.0786 48.4056 0.0000 175.5476 77 Y 4.2954 8.1565 118.7174 60.6053 37.8458 178.5130 78 A 4.0365 9.0668 122.2643 54.9296 18.4575 179.4662 79 L 3.9909 8.0968 118.9509 58.4998 42.1171 178.7611 80 C 4.1736 8.7605 119.2436 62.3501 31.6111 175.6006 81 G 3.7560 8.7582 107.7852 48.2997 0.0000 175.3137 82 H 4.3358 8.5131 120.1605 58.0370 28.6285 177.8105 83 F 3.9900 8.5576 119.5917 60.8873 38.6004 178.0853 84 R 4.0325 8.3562 116.6450 58.9798 29.8548 178.8020 85 S 4.5098 8.0049 113.6592 59.5258 63.2918 173.9772 86 E 4.2323 8.0871 123.4117 54.9946 29.3782 175.5742 87 P 4.2076 0.0000 0.0000 65.8779 31.4787 177.4635 88 T 4.1520 7.7430 110.0638 63.2316 67.6771 174.4086 89 L 4.5949 8.0371 118.9545 53.9376 43.6584 177.9361 90 K 4.0750 8.6469 119.3375 58.8787 31.9735 177.0441 91 H 4.4617 8.2328 112.2209 57.3788 29.1150 175.2830 92 I 3.8677 7.4025 122.4212 60.5096 37.3179 174.5295 93 P 4.6395 0.0000 0.0000 63.0221 32.7296 175.3369 94 V 4.8092 9.4583 121.8046 61.1383 34.8914 174.0703 95 I 4.8527 8.8857 127.7971 59.5582 40.2996 174.3321 96 F 5.3001 8.7389 125.7794 55.9948 41.2534 175.1385 97 V 4.6570 8.8423 123.0085 61.2672 33.9935 174.1525 98 S 4.9728 8.7360 122.0409 56.5736 66.1174 174.7376 99 G 3.4341 8.8085 110.4287 46.7114 0.0000 173.4694 100 Y 4.7983 7.6243 117.0422 55.7705 40.7799 177.9684 101 A 4.3482 8.3877 128.0774 51.0229 18.6365 175.1719 *107 P 4.1410 0.0000 0.0000 63.1380 32.4610 177.9836 108 A 4.0522 8.6732 124.4180 54.9197 18.4698 178.0540 109 D 4.5779 7.9885 113.2353 54.4331 40.2719 176.5163 110 Q 4.5426 7.5331 118.9739 53.7387 30.2045 173.7838 111 P 4.5867 0.0000 0.0000 62.9431 32.1990 176.2271 112 V 4.6274 7.8661 112.3651 58.8332 35.4829 173.8491 113 P 4.0062 0.0000 0.0000 62.5951 31.7539 176.0610 114 D 4.6166 8.3317 118.8334 56.4826 41.5214 176.5239 115 A 4.7186 7.4919 118.3055 50.9637 22.9322 174.6551 116 Y 5.0760 8.4508 120.2854 56.2481 41.9018 174.1156 117 L 4.9557 9.4477 126.9179 52.9519 45.1774 175.5005 118 V 4.7875 8.3835 123.0640 61.1886 32.6322 175.7324 119 K 4.2727 9.0886 128.3377 55.9100 32.7656 175.2605 120 P 4.3043 0.0000 0.0000 62.3097 31.9765 176.1156 121 V 3.9850 8.1102 122.9249 61.3577 32.5558 175.4274 122 K 4.1573 8.5921 126.9714 55.6822 32.4285 175.5770 123 P 4.2122 0.0000 0.0000 65.5246 31.2729 176.6730 124 P 4.2965 0.0000 0.0000 65.4877 31.1801 178.8699 125 V 3.5756 7.8413 117.1221 65.7601 31.3966 177.6654 126 L 3.8941 7.9086 119.5540 58.3060 41.9427 178.5462 127 I 3.7439 7.8364 119.2907 64.6879 37.1611 178.1126 128 A 4.1351 8.0723 121.1940 55.3764 18.0690 179.6931 129 Q 3.9508 8.2511 116.5258 59.0149 28.8245 178.8317 130 L 3.8464 8.0160 120.0910 58.3122 41.6014 179.3878 131 H 4.3868 8.3270 115.6472 58.7600 28.5980 177.7406 132 A 4.0007 8.2117 122.4548 55.2009 18.2222 179.5602 133 L 3.9212 8.1410 117.5900 58.1356 41.2672 179.8671 134 L 3.9938 8.5032 118.8821 57.7496 41.2811 179.5897 135 A 4.0486 8.0167 120.1568 54.9173 18.4205 179.4034 136 R 3.9417 8.2580 116.4012 59.7139 30.3452 178.0234 137 A 4.1158 8.0194 119.4108 55.3375 18.3310 177.4399 138 E 4.2167 7.7780 120.2939 56.6397 29.9118 176.1716 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 19 P 0.00 4.68 0.00 2.51 2.21 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 20 K 10.25 4.68 0.00 1.86 1.78 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.50 7.81 21 V 8.97 4.69 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 0.60 0.00 0.00 0.56 0.00 0.00 22 L 8.77 4.97 0.00 1.86 1.56 0.96 1.08 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 23 I 8.95 4.79 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 1.05 0.62 0.87 0.00 0.00 24 V 8.50 4.76 1.99 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 0.91 0.00 0.00 0.91 0.00 0.00 25 E 8.60 4.81 0.00 2.04 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 2.11 2.44 0.00 26 N 9.00 4.54 0.00 2.74 2.88 0.00 0.00 7.24 7.57 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 27 S 8.19 4.35 0.00 3.78 3.83 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 28 W 9.00 4.40 0.00 3.57 3.30 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 29 T 6.50 3.26 3.65 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 -0.56 0.00 0.00 *31 R 8.07 4.17 0.00 2.09 2.22 0.00 3.24 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 32 E 8.39 4.05 0.00 2.43 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 0.00 2.48 2.46 0.00 33 T 7.76 3.83 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 1.17 0.00 0.00 34 L 7.78 3.97 0.00 1.66 1.68 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.87 3.90 0.00 2.02 2.12 0.00 3.12 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 36 L 7.71 4.04 0.00 1.69 1.73 0.98 1.10 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 37 L 7.93 4.16 0.00 1.85 1.75 1.00 0.77 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 38 L 8.31 4.53 0.00 1.77 1.89 0.82 1.04 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 39 S 7.48 4.70 0.00 4.02 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 40 G 8.13 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 41 E 7.72 4.47 0.00 1.48 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 1.93 1.47 0.00 42 F 8.05 5.05 0.00 3.16 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 43 D 9.36 4.96 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.48 5.04 0.00 2.93 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 45 T 9.18 4.77 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 1.26 0.00 0.00 46 T 8.42 5.20 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 47 A 9.09 4.82 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 48 A 9.17 4.23 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 49 D 7.66 4.62 0.00 2.92 2.75 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 0.00 0.00 0.00 50 G 8.61 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.03 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 52 S 8.53 4.45 0.00 3.86 4.11 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 0.00 0.00 0.00 53 G 8.39 3.65 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 0.00 0.00 0.00 54 L 8.76 4.13 0.00 1.88 1.93 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.05 3.98 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 56 Q 8.16 4.03 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 57 A 8.28 4.00 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 58 L 7.76 3.82 0.00 1.72 1.71 0.88 0.63 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 59 A 7.62 4.34 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 60 H 8.18 4.60 0.00 3.07 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.39 0.00 2.05 1.99 0.00 3.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 62 P 0.00 4.69 0.00 2.38 2.13 0.00 3.80 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 2.14 2.16 0.00 63 D 8.70 4.78 0.00 2.75 2.81 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 64 V 7.49 4.57 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 0.51 0.00 0.00 0.92 0.00 0.00 65 L 8.63 5.05 0.00 1.65 1.29 0.79 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.85 4.93 1.79 0.00 0.00 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 1.00 0.38 0.83 0.00 0.00 67 S 9.08 5.33 0.00 3.64 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 D 8.33 5.25 0.00 2.75 2.41 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 69 V 8.04 3.57 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 1.06 0.00 0.00 0.40 0.00 0.00 70 N 7.82 4.72 0.00 2.83 2.78 0.00 0.00 6.79 8.06 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 *72 D 8.77 4.64 0.00 2.65 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 73 G 7.91 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 0.00 0.00 0.00 *75 D 7.73 4.56 0.00 3.17 2.88 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 76 G 8.42 3.22 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 0.00 77 Y 8.16 4.30 0.00 3.31 3.17 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 78 A 9.07 4.04 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 79 L 8.10 3.99 0.00 1.77 1.81 1.04 0.49 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 80 C 8.76 4.17 0.00 3.24 3.18 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 81 G 8.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.34 0.00 3.54 3.46 0.00 5.64 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 83 F 8.56 3.99 0.00 3.26 3.17 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 84 R 8.36 4.03 0.00 1.96 2.05 0.00 3.36 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 85 S 8.00 4.51 0.00 4.11 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 0.00 86 E 8.09 4.23 0.00 1.91 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 2.54 2.34 0.00 87 P 0.00 4.21 0.00 2.02 2.13 0.00 3.65 0.00 0.00 3.80 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 88 T 7.74 4.15 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 1.12 0.00 0.00 89 L 8.04 4.59 0.00 1.37 0.82 0.03 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.65 4.07 0.00 1.87 1.91 0.00 1.61 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.46 7.81 91 H 8.23 4.46 0.00 3.34 3.42 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.40 3.87 2.17 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 1.07 0.36 1.11 0.00 0.00 93 P 0.00 4.64 0.00 2.08 2.17 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 94 V 9.46 4.81 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 0.77 0.00 0.00 0.78 0.00 0.00 95 I 8.89 4.85 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.86 0.00 0.00 96 F 8.74 5.30 0.00 2.31 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 0.00 0.00 0.00 97 V 8.84 4.66 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 0.87 0.00 0.00 0.86 0.00 0.00 98 S 8.74 4.97 0.00 3.80 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 99 G 8.81 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.80 0.00 3.11 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 0.00 101 A 8.39 4.35 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 *107 P 0.00 4.14 0.00 2.43 2.22 0.00 3.65 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 1.95 1.93 0.00 108 A 8.67 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.58 0.00 2.81 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 0.00 110 Q 7.53 4.54 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 111 P 0.00 4.59 0.00 2.27 2.13 0.00 3.81 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 2.22 2.17 0.00 112 V 7.87 4.63 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 0.87 0.00 0.00 0.93 0.00 0.00 113 P 0.00 4.01 0.00 1.81 0.49 0.00 3.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 114 D 8.33 4.62 0.00 2.64 2.72 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 0.00 115 A 7.49 4.72 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 0.00 116 Y 8.45 5.08 0.00 2.96 2.70 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 0.00 0.00 0.00 0.00 117 L 9.45 4.96 0.00 1.56 1.53 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.38 4.79 2.14 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 0.83 0.00 0.00 1.10 0.00 0.00 119 K 9.09 4.27 0.00 1.58 1.68 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.50 7.81 120 P 0.00 4.30 0.00 2.02 1.95 0.00 3.64 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 1.99 2.02 0.00 121 V 8.11 3.98 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 0.80 0.00 0.00 0.91 0.00 0.00 122 K 8.59 4.16 0.00 1.86 1.75 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.46 7.81 123 P 0.00 4.21 0.00 2.16 2.15 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 124 P 0.00 4.30 0.00 2.17 2.12 0.00 3.62 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 2.12 2.16 0.00 125 V 7.84 3.58 2.22 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 1.08 0.00 0.00 0.94 0.00 0.00 126 L 7.91 3.89 0.00 1.77 1.84 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.84 3.74 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.95 1.13 0.00 0.00 128 A 8.07 4.14 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 0.00 129 Q 8.25 3.95 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 130 L 8.02 3.85 0.00 1.67 1.25 0.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.33 4.39 0.00 3.45 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.21 4.00 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 0.00 133 L 8.14 3.92 0.00 1.79 1.71 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.50 3.99 0.00 1.77 1.80 1.09 0.96 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 0.00 135 A 8.02 4.05 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 0.00 136 R 8.26 3.94 0.00 1.77 2.12 0.00 3.35 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 137 A 8.02 4.12 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 0.00 138 E 7.78 4.22 0.00 2.20 1.99 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 2.34 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.