NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1264 8.2649 123.5565 50.7915 19.9013 176.4867 2 P 4.0820 0.0000 0.0000 61.8329 31.8699 175.1603 3 K 3.9578 9.1341 121.1912 56.4775 33.7296 176.5960 4 D 4.2587 8.4757 121.2830 55.8447 41.4554 176.1344 5 N 4.2086 8.5537 119.6095 53.8630 37.9235 173.2520 6 T 4.9256 6.8130 104.9666 59.8906 73.4216 172.9827 7 W 5.5538 8.9890 121.1040 55.5566 32.9024 174.2051 8 Y 5.6414 8.8473 118.4127 56.6686 41.5093 173.5147 9 T 5.0957 9.2877 114.0722 61.1131 71.5989 172.6429 10 G 3.8498 8.6070 113.2450 45.2682 0.0000 171.0911 11 A 5.3554 8.9933 120.4281 50.4255 23.2158 175.2908 12 K 5.2638 9.3008 117.6301 55.0985 37.6682 175.2312 13 L 5.1764 9.0953 121.3721 53.0955 44.8615 176.2369 14 G 4.5886 8.8891 109.2711 44.4821 0.0000 171.1336 15 W 5.9829 9.0918 129.7130 56.0965 34.5634 173.5583 16 S 4.4666 9.1353 120.3059 56.7818 65.9823 172.5339 17 Q 5.4802 8.2938 121.0474 53.3493 32.0032 175.7552 *31 H 4.6553 8.1901 112.9714 55.7828 29.3112 173.4808 32 E 4.4658 8.6513 119.7248 56.0144 31.8221 173.1110 33 N 5.5901 8.7870 121.3570 51.2617 42.3220 173.9524 34 K 5.2810 9.4084 121.7388 54.7422 35.9728 175.2874 35 L 5.2652 8.7465 122.9600 53.5629 46.2225 176.3804 36 G 2.9104 8.4088 105.7135 46.9348 0.0000 171.3638 37 A 4.8633 5.8152 121.7862 51.5236 23.4039 175.2584 38 G 4.6648 8.9620 104.6609 47.0050 0.0000 172.2166 39 A 5.5404 9.5484 121.0630 50.3423 23.0602 175.2406 40 F 5.5151 8.9345 113.8957 55.6870 41.9681 173.6088 41 G 4.5180 9.6023 106.7399 45.0615 0.0000 171.6381 42 G 4.2151 8.6285 108.5848 44.8474 0.0000 170.8525 43 Y 4.7440 8.7317 120.4977 55.4781 41.8169 173.6585 44 Q 4.4763 8.3884 128.5723 55.0073 30.5287 176.1836 45 V 3.5825 8.7274 127.4290 64.7272 32.1467 175.0682 46 N 5.6841 7.2730 113.5380 51.1051 39.9173 172.8353 47 P 4.0646 0.0000 0.0000 64.7433 31.4357 176.9015 48 Y 5.1348 8.2372 114.1842 56.9024 39.9367 175.2917 49 V 4.8033 7.9135 119.9182 61.0073 35.0221 174.6799 50 G 4.3762 8.8032 113.6851 44.8349 0.0000 170.8809 51 F 5.4787 9.1403 117.5979 55.7048 43.0693 174.4960 52 E 5.3113 9.6315 120.6627 55.0105 34.4846 173.9347 53 M 5.2674 9.3970 121.9017 53.9155 35.3566 174.6539 54 G 4.7683 9.4844 112.3309 44.7123 0.0000 170.5429 55 Y 5.5321 9.2889 121.4457 55.9019 42.1676 173.9547 56 D 5.1710 8.5353 125.0250 52.2839 45.9926 174.3078 57 W 5.4881 8.7521 117.3985 54.8927 32.2421 174.0269 58 L 5.0258 9.4855 120.3978 53.1475 45.7242 175.7777 59 G 4.7780 9.3135 109.7748 44.3039 0.0000 171.7344 60 R 4.7396 8.9367 123.8415 56.3037 30.7382 175.7807 61 M 4.6274 8.6188 125.9523 53.2697 33.5658 174.6254 62 P 4.0658 0.0000 0.0000 64.6599 31.9921 175.5594 63 Y 3.3887 7.7907 117.2481 58.7029 35.9209 171.5810 *71 A 4.2161 7.7236 120.9619 52.2551 20.2603 175.8179 72 Y 4.8761 8.6238 118.8165 56.9826 41.1796 175.0490 73 K 5.2797 9.1813 125.0836 54.6836 36.2416 174.7773 74 A 5.4071 9.4920 127.6125 50.5148 22.8032 174.9081 75 Q 5.0653 9.5432 118.6041 54.6054 33.8974 174.4559 76 G 4.6079 8.9084 107.7343 45.0718 0.0000 171.8040 77 V 5.3835 9.1784 122.9845 60.8884 34.5681 174.4248 78 Q 5.1372 9.4277 124.6953 54.5140 32.9162 173.5946 79 L 5.3471 8.8672 121.8987 53.7758 45.2815 175.2838 80 T 5.2292 9.2697 115.6379 60.0078 72.9038 172.7076 81 A 4.8610 9.0481 125.1003 51.2663 20.6644 176.3768 82 K 4.8863 9.0023 123.0070 54.6985 34.9857 174.6616 83 L 5.2416 9.0840 128.3096 53.1299 44.6891 176.1137 84 G 4.7375 9.3904 109.9374 45.6167 0.0000 170.6278 85 Y 5.5635 8.7733 116.9449 54.7999 41.7678 172.7260 86 P 4.8706 0.0000 0.0000 62.8184 32.2136 176.3294 87 I 4.0240 8.5664 125.4443 63.4566 36.4710 175.4992 88 T 4.7434 7.2674 108.0200 59.8146 71.9050 173.9754 89 D 4.5252 8.7355 120.2622 57.0790 40.9919 177.5123 90 D 4.6115 7.6654 115.1434 54.4022 41.9809 175.4245 91 L 4.9843 8.0024 122.1209 53.1536 44.2827 174.9543 92 D 5.3270 8.9107 125.8599 52.6229 44.2160 175.1474 93 I 4.7391 7.9851 122.5218 60.1381 39.6568 174.3339 94 Y 5.3312 8.2965 122.3690 56.3565 41.8096 173.5832 95 T 5.2357 9.4485 116.3191 61.9799 73.1114 173.3023 96 R 5.3887 8.9497 122.4169 54.5157 34.3403 174.5707 97 L 4.7264 8.7745 122.3684 53.8012 43.9790 175.4999 98 G 4.2150 7.6560 110.4685 46.2281 0.0000 172.0388 99 G 4.4893 8.1595 109.6870 44.6379 0.0000 171.1909 100 M 5.4180 9.1458 119.9278 53.7472 36.3409 174.1113 101 V 4.8463 8.9034 119.5102 59.5783 33.8036 175.0582 102 W 5.5298 8.6556 122.5321 54.6823 32.2011 174.2829 103 R 5.3585 9.5519 119.9594 54.8313 33.4914 173.3073 104 A 5.3230 9.6627 127.9570 50.3713 22.0078 174.3722 105 D 5.4639 9.4519 122.9981 52.9677 43.8122 175.8718 106 T 4.9024 8.9248 118.3292 60.8475 72.9837 172.8294 107 Y 4.5367 8.1229 123.2806 56.5082 40.8731 173.9988 108 S 4.9537 8.9719 121.8569 56.9336 65.0385 174.2263 109 N 4.6486 8.8562 119.2240 53.9174 39.4635 176.7679 110 V 4.0568 7.5669 116.9256 65.1326 32.0248 176.2732 111 Y 4.5297 8.1420 113.3196 57.1559 38.7200 177.5318 112 G 3.7973 7.6871 109.7400 44.7106 0.0000 173.3177 113 K 4.3053 8.0255 118.1850 56.7031 33.0557 175.9489 114 N 5.1392 8.7517 120.5011 53.2537 43.0373 172.4270 115 H 5.2752 8.2915 115.5139 54.8867 31.2708 172.2907 116 D 4.9462 9.1520 118.7218 52.8927 44.9189 174.1147 117 T 4.4380 7.8927 113.0365 60.0711 72.3050 172.4957 118 G 3.3842 6.4070 108.1917 45.6056 0.0000 172.0644 119 V 5.0429 8.1472 118.9339 61.1844 34.3741 174.4554 120 S 4.8119 9.3159 120.7211 56.2550 65.4190 171.6282 121 P 4.8511 0.0000 0.0000 62.7610 32.7323 175.6031 122 V 4.4434 7.9852 120.8164 60.1295 34.9324 174.1753 123 F 5.0054 8.5846 121.0675 55.8176 43.2404 173.5357 124 A 4.8786 8.5304 121.0470 50.8974 23.1683 175.5214 125 G 4.3641 9.4847 106.5212 44.8593 0.0000 172.2325 126 G 3.9621 7.7846 108.7914 45.4409 0.0000 172.0822 127 V 4.9060 8.5705 112.1996 59.3200 35.7609 174.9450 128 E 5.2146 9.1477 124.5351 54.6975 33.0024 173.7436 129 Y 5.0676 9.4091 124.7173 56.2449 40.4041 174.8698 130 A 4.5188 8.9595 128.2157 51.1641 18.3610 177.3364 131 I 3.8277 8.6900 123.7002 64.8214 37.4753 176.6135 132 T 4.7651 7.3702 107.7383 58.9146 71.9083 172.6013 133 P 4.2167 0.0000 0.0000 64.9611 31.5558 177.5629 134 E 4.0960 8.1154 116.8552 56.4949 30.6203 175.4911 135 I 5.2000 7.5725 119.7988 59.3039 40.6673 174.6295 136 A 5.3334 9.0831 127.9118 50.3745 22.8151 174.8503 137 T 5.2387 8.9350 110.7627 60.1147 72.1670 173.4145 138 R 5.4027 9.0933 118.0949 54.7248 33.7054 173.5112 139 L 5.2786 9.0998 122.1016 53.5087 45.1466 174.8257 140 E 5.1477 9.4968 126.1951 54.8043 33.5459 172.8518 141 Y 5.2397 9.3287 126.2600 55.8584 41.7005 173.9460 142 Q 4.9360 8.6876 128.0594 54.0309 32.3750 174.0663 143 W 5.5338 8.7434 122.2189 55.4559 32.5840 173.1539 144 T 4.8767 8.3384 109.4073 60.2524 71.5073 173.8025 145 N 4.8601 7.8851 114.7946 52.2128 38.0414 172.5281 *160 G 3.8028 7.4507 106.8139 47.0267 0.0000 170.8200 161 M 4.9467 8.5811 118.7827 53.6306 35.2467 174.2220 162 L 5.3519 8.9102 126.4780 54.0519 44.0907 175.7639 163 S 5.1965 9.1503 115.6994 57.2807 66.9691 172.7953 164 L 5.3143 8.9639 120.5890 53.3511 45.4125 175.9402 165 G 4.8261 9.2252 109.0923 45.3772 0.0000 171.5603 166 V 5.3141 9.0875 118.6226 60.0320 35.0696 174.7110 167 S 5.1349 9.5636 116.9776 56.8757 67.1850 171.7407 168 Y 5.0530 9.2175 122.5088 55.9987 40.9099 174.3859 169 R 4.6202 7.8072 126.5492 54.5484 30.6919 176.8495 170 F 4.0583 9.0401 124.3918 58.2737 39.3960 175.9469 171 G 4.1977 8.2211 113.2139 45.9328 0.0000 173.1700 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 A 8.26 4.13 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 2 P 0.00 4.08 0.00 2.06 1.97 0.00 3.61 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 3 K 9.13 3.96 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 4 D 8.48 4.26 0.00 2.65 2.61 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 0.00 5 N 8.55 4.21 0.00 2.84 2.85 0.00 0.00 6.90 7.28 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 6 T 6.81 4.93 4.37 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 1.35 0.00 0.00 7 W 8.99 5.55 0.00 3.41 3.24 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 8 Y 8.85 5.64 0.00 3.16 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 9 T 9.29 5.10 4.55 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 1.40 0.00 0.00 10 G 8.61 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.99 5.36 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 12 K 9.30 5.26 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.84 7.81 13 L 9.10 5.18 0.00 1.56 1.51 0.93 1.00 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 14 G 8.89 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 15 W 9.09 5.98 0.00 3.30 3.07 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 0.00 0.00 0.00 0.00 16 S 9.14 4.47 0.00 3.78 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.29 5.48 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.28 0.00 0.00 0.00 0.00 0.00 2.47 1.84 0.00 *31 H 8.19 4.66 0.00 3.28 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.65 4.47 0.00 2.01 1.89 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 2.25 2.26 0.00 33 N 8.79 5.59 0.00 2.78 2.95 0.00 0.00 6.82 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 34 K 9.41 5.28 0.00 1.67 1.72 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 35 L 8.75 5.27 0.00 1.58 1.47 0.90 0.65 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 36 G 8.41 2.91 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 37 A 5.82 4.86 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 38 G 8.96 4.66 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 0.00 0.00 0.00 39 A 9.55 5.54 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 40 F 8.93 5.52 0.00 3.21 3.19 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 41 G 9.60 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 0.00 0.00 0.00 43 Y 8.73 4.74 0.00 1.68 2.46 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 44 Q 8.39 4.48 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 45 V 8.73 3.58 2.21 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 0.92 0.00 0.00 1.19 0.00 0.00 46 N 7.27 5.68 0.00 2.94 2.89 0.00 0.00 6.74 7.76 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 47 P 0.00 4.06 0.00 0.91 1.73 0.00 3.48 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 48 Y 8.24 5.13 0.00 3.09 3.01 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 0.00 0.00 0.00 49 V 7.91 4.80 2.06 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 0.62 0.00 0.00 1.01 0.00 0.00 50 G 8.80 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 0.00 0.00 0.00 0.00 51 F 9.14 5.48 0.00 3.00 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 52 E 9.63 5.31 0.00 1.88 1.89 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 2.36 2.34 0.00 53 M 9.40 5.27 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 54 G 9.48 4.77 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 0.00 0.00 0.00 55 Y 9.29 5.53 0.00 3.11 2.91 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 56 D 8.54 5.17 0.00 2.44 2.30 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 57 W 8.75 5.49 0.00 3.47 3.04 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 58 L 9.49 5.03 0.00 1.59 1.57 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.31 4.78 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 60 R 8.94 4.74 0.00 1.94 1.89 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 61 M 8.62 4.63 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 62 P 0.00 4.07 0.00 2.17 2.02 0.00 3.88 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 63 Y 7.79 3.39 0.00 3.04 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 *71 A 7.72 4.22 1.50 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 0.00 0.00 72 Y 8.62 4.88 0.00 2.95 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 73 K 9.18 5.28 0.00 1.91 1.67 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 74 A 9.49 5.41 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 75 Q 9.54 5.07 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 76 G 8.91 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 0.00 0.00 0.00 0.00 77 V 9.18 5.38 2.19 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 1.19 0.00 0.00 1.19 0.00 0.00 78 Q 9.43 5.14 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 79 L 8.87 5.35 0.00 1.77 1.52 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 T 9.27 5.23 4.39 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 1.18 0.00 0.00 81 A 9.05 4.86 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 82 K 9.00 4.89 0.00 1.68 1.64 0.00 1.23 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.29 7.81 83 L 9.08 5.24 0.00 1.72 1.61 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.39 4.74 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 0.00 0.00 0.00 85 Y 8.77 5.56 0.00 3.17 3.14 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 86 P 0.00 4.87 0.00 2.24 2.09 0.00 4.12 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 87 I 8.57 4.02 1.77 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 1.10 0.67 0.89 0.00 0.00 88 T 7.27 4.74 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 89 D 8.74 4.53 0.00 2.69 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 90 D 7.67 4.61 0.00 2.70 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 91 L 8.00 4.98 0.00 1.60 1.35 0.72 0.06 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 92 D 8.91 5.33 0.00 2.53 2.47 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 0.00 0.00 0.00 0.00 93 I 7.99 4.74 1.17 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.71 0.70 0.00 0.00 94 Y 8.30 5.33 0.00 3.13 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 95 T 9.45 5.24 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 1.36 0.00 0.00 96 R 8.95 5.39 0.00 1.69 1.75 0.00 3.06 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 97 L 8.77 4.73 0.00 1.65 1.85 1.06 0.90 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 98 G 7.66 4.21 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 0.00 0.00 0.00 99 G 8.16 4.49 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 0.00 0.00 0.00 100 M 9.15 5.42 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 101 V 8.90 4.85 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 0.68 0.00 0.00 0.97 0.00 0.00 102 W 8.66 5.53 0.00 3.51 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 0.00 103 R 9.55 5.36 0.00 1.90 1.88 0.00 3.03 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 104 A 9.66 5.32 1.38 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 0.00 0.00 0.00 105 D 9.45 5.46 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.92 4.90 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 0.97 0.00 0.00 107 Y 8.12 4.54 0.00 3.18 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 0.00 108 S 8.97 4.95 0.00 3.95 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 0.00 109 N 8.86 4.65 0.00 2.78 2.91 0.00 0.00 6.82 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 0.00 110 V 7.57 4.06 2.17 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 1.04 0.00 0.00 0.96 0.00 0.00 111 Y 8.14 4.53 0.00 2.84 2.90 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 0.00 0.00 0.00 112 G 7.69 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 0.00 0.00 0.00 113 K 8.03 4.31 0.00 1.48 1.53 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 1.04 7.81 114 N 8.75 5.14 0.00 2.80 2.57 0.00 0.00 6.88 7.24 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 0.00 115 H 8.29 5.28 0.00 3.34 3.33 0.00 5.52 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 0.00 116 D 9.15 4.95 0.00 2.88 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 0.00 117 T 7.89 4.44 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 1.17 0.00 0.00 118 G 6.41 3.38 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 0.00 0.00 0.00 0.00 119 V 8.15 5.04 2.06 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 0.87 0.00 0.00 0.85 0.00 0.00 120 S 9.32 4.81 0.00 4.12 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 0.00 121 P 0.00 4.85 0.00 2.12 1.83 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 122 V 7.99 4.44 1.91 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 0.57 0.00 0.00 0.78 0.00 0.00 123 F 8.58 5.01 0.00 1.51 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 0.00 0.00 0.00 124 A 8.53 4.88 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 0.00 125 G 9.48 4.36 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 0.00 126 G 7.78 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 0.00 0.00 0.00 127 V 8.57 4.91 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 0.50 0.00 0.00 0.99 0.00 0.00 128 E 9.15 5.21 0.00 2.07 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 2.14 2.51 0.00 129 Y 9.41 5.07 0.00 2.88 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 0.00 130 A 8.96 4.52 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 0.00 131 I 8.69 3.83 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 1.38 0.85 0.91 0.00 0.00 132 T 7.37 4.77 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 1.22 0.00 0.00 133 P 0.00 4.22 0.00 2.02 2.12 0.00 3.64 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 2.01 2.08 0.00 134 E 8.12 4.10 0.00 2.07 1.83 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 2.14 2.09 0.00 135 I 7.57 5.20 1.89 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 1.21 1.16 0.94 0.00 0.00 136 A 9.08 5.33 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 0.00 137 T 8.94 5.24 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 138 R 9.09 5.40 0.00 2.14 2.12 0.00 2.40 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 139 L 9.10 5.28 0.00 1.88 1.65 1.01 0.84 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 0.00 140 E 9.50 5.15 0.00 2.16 1.78 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 2.25 2.40 0.00 141 Y 9.33 5.24 0.00 3.05 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 0.00 142 Q 8.69 4.94 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 143 W 8.74 5.53 0.00 3.32 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 0.00 144 T 8.34 4.88 4.33 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 1.15 0.00 0.00 145 N 7.89 4.86 0.00 3.11 3.00 0.00 0.00 6.90 6.88 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 *160 G 7.45 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 0.00 0.00 0.00 161 M 8.58 4.95 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 162 L 8.91 5.35 0.00 1.88 1.78 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 163 S 9.15 5.20 0.00 3.98 3.94 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 0.00 164 L 8.96 5.31 0.00 1.64 1.60 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 165 G 9.23 4.83 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 0.00 0.00 0.00 166 V 9.09 5.31 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 0.92 0.00 0.00 1.03 0.00 0.00 167 S 9.56 5.13 0.00 4.04 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 0.00 168 Y 9.22 5.05 0.00 2.90 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 0.00 169 R 7.81 4.62 0.00 1.51 1.71 0.00 3.14 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 170 F 9.04 4.06 0.00 3.34 3.24 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 0.00 171 G 8.22 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.