NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.4005 8.3149 120.0882 55.6431 34.6526 175.1513 6 I 4.3684 8.2544 122.3153 58.4009 40.3986 169.2435 7 V 4.7300 9.1826 127.5844 61.4316 33.9127 173.7607 8 L 5.1603 9.1100 128.5270 53.0567 44.3167 175.5211 9 K 5.2589 8.9945 123.4844 54.5173 34.4952 176.5313 10 S 5.0455 9.0612 120.9187 57.6373 64.5501 175.4857 11 S 4.1352 9.5305 114.7138 60.7993 62.6399 175.3591 12 D 4.5703 7.9787 119.3507 53.8612 40.8336 176.9369 13 G 3.9438 8.2420 107.4295 46.1768 0.0000 173.2571 14 E 4.5734 7.9132 118.7015 54.9986 31.5472 175.2588 15 S 5.2359 8.5243 119.5288 57.6230 64.5207 173.4542 16 F 4.7707 9.5739 123.4086 55.5674 41.8517 173.7346 17 E 5.1341 8.9301 124.3877 54.6909 31.0785 175.2343 18 V 4.6897 8.7271 119.5327 59.0649 36.3285 175.3101 19 E 4.3017 8.7985 122.0305 56.6748 30.3801 177.9355 20 E 3.9158 9.1489 122.0244 59.9489 29.3137 179.8020 21 A 4.0214 7.9416 118.4760 55.0047 18.7064 179.4881 22 V 3.6585 7.7202 116.0285 66.2648 31.9396 178.0733 23 A 4.0604 7.9649 120.4454 54.9216 18.0066 178.8495 24 L 4.2480 7.7758 115.0149 56.0318 41.9084 178.6248 25 E 4.1401 7.8881 118.6111 57.6672 29.7495 176.8393 26 S 4.5622 7.5554 114.4730 57.1506 63.2977 174.8571 27 Q 4.0502 8.7173 127.6436 59.0756 28.2803 178.7896 28 T 3.7893 7.6001 116.7535 66.8389 68.5292 176.6587 29 I 3.6404 7.9600 121.6077 64.2635 37.1021 178.1542 30 A 3.9748 7.9841 121.6117 55.3175 17.9226 178.7834 31 H 4.5410 7.6988 112.2191 57.3532 29.3979 177.2754 32 M 4.2221 7.6506 120.3832 57.9219 32.1517 178.5518 33 V 3.7631 8.2512 119.0575 65.9353 31.5793 177.7414 34 E 4.1578 7.8564 113.3586 57.0585 29.1935 176.8545 35 D 4.2332 8.0995 119.3243 55.2541 40.7160 176.9133 *39 D 4.4233 8.5447 119.4766 54.6037 42.9895 175.4628 40 N 4.4343 9.1038 122.0399 55.9081 38.8536 174.8533 41 G 4.1814 7.5898 105.1533 43.8044 0.0000 172.6409 42 V 3.9512 8.4151 123.7424 61.5132 32.0054 173.5630 43 P 4.8011 0.0000 0.0000 62.8122 32.4334 176.7305 44 L 4.9380 8.7837 122.0536 52.0041 41.4291 175.3276 45 P 4.2579 0.0000 0.0000 64.8388 31.8601 177.1747 46 N 4.5431 7.7401 112.8962 52.4183 38.8280 174.4272 47 V 4.2738 7.5733 118.9610 60.4188 34.2455 175.0939 48 T 4.9200 8.1917 122.1933 61.2364 69.4506 175.0830 49 S 4.3134 9.5093 122.1362 61.6517 62.3464 177.1167 50 K 4.0078 8.0586 121.7787 59.6763 31.9530 178.7006 51 I 3.8975 7.6632 119.3991 63.8053 37.2074 177.7313 52 L 3.7305 8.1982 121.4812 57.9151 41.7518 178.7740 53 A 4.0765 7.9157 120.5810 55.3734 18.3774 179.8432 54 K 4.2295 7.6108 117.2614 58.9792 32.0155 179.7961 55 V 3.6176 8.0690 118.8340 66.0822 31.4544 178.1063 56 I 3.7085 7.9718 119.7276 64.4108 36.9188 177.9937 57 E 3.9842 8.3191 119.4070 59.7215 29.3617 178.8547 58 Y 4.1115 8.0932 119.0666 61.1391 38.8470 178.0608 59 C 4.2238 8.5963 117.8457 62.5218 28.1559 176.1244 60 K 3.8875 8.4998 120.6064 59.6177 31.5034 179.2198 61 R 3.8107 7.5655 117.1727 59.9014 30.0778 178.0233 62 H 4.1326 7.8544 114.6754 58.3688 28.6925 177.6828 63 V 3.7273 7.8385 120.0388 66.1807 31.4023 177.2904 64 E 3.8672 8.2916 117.7891 59.6898 29.4004 177.9916 *91 M 4.3880 7.5174 116.4511 54.7672 34.3946 176.3631 92 K 4.3003 7.9080 121.1879 56.3191 31.3415 175.0871 93 I 4.5030 7.1821 111.9099 58.7360 40.9983 175.3287 94 D 4.6446 8.0734 121.1364 52.0855 42.0498 177.0594 95 Q 3.5912 8.2604 119.2030 59.3353 28.7796 178.0695 96 A 3.7642 7.7376 121.0571 55.2857 18.3164 179.6375 97 T 3.8399 7.7016 113.9299 66.4345 68.5550 176.4115 98 L 3.9936 7.9282 122.3095 58.5008 41.9325 179.1287 99 F 4.3926 8.3742 117.5293 60.7260 38.9295 177.3006 100 E 4.0246 8.2467 118.8498 58.7908 29.3390 178.6168 101 L 3.9621 8.2602 121.0508 58.0108 42.0968 178.8664 102 I 3.6686 7.9970 119.9087 64.5710 37.0234 178.2981 103 L 3.9606 7.6877 119.3480 57.7773 41.3498 179.6689 104 A 4.0680 8.0308 120.0912 55.1854 18.4022 179.4755 105 A 3.8774 8.3236 119.7636 55.2595 18.1648 179.4869 106 N 4.2358 8.5236 115.8580 56.9352 38.8839 176.5435 107 Y 4.2083 8.0919 119.9765 60.6828 39.1458 177.5114 108 L 3.8262 8.7735 118.4396 54.1574 43.0401 175.9359 109 N 4.2630 7.5877 116.3525 54.5330 36.2404 175.5214 110 I 4.3394 7.6239 119.5245 59.2125 37.9167 177.1292 111 K 3.8328 8.5979 126.6370 59.6237 32.2141 177.7779 112 N 4.3695 8.1190 116.6541 56.4355 38.9550 176.4860 113 L 3.2503 7.6900 121.4467 57.6197 42.1261 178.2483 114 L 3.8763 8.1004 120.7367 58.3246 41.8871 178.7265 115 D 4.3120 8.0884 118.5059 57.3019 40.8615 178.4905 116 L 3.9691 7.7372 120.7346 58.4126 42.1077 179.1907 117 T 3.9012 7.9351 109.6569 65.1217 68.7433 176.4237 118 C 4.1627 8.4199 120.1473 62.5054 28.0622 176.1337 119 Q 4.0079 8.5523 120.1624 59.2119 28.0324 178.9771 120 T 3.9219 7.6026 115.9282 66.5647 68.7903 176.7005 121 V 3.9310 8.0899 120.0296 65.8933 31.4980 177.7900 122 A 4.0140 8.2879 120.7710 55.4764 18.0677 179.2867 123 D 4.3993 8.1563 115.3637 57.0255 40.8924 178.2393 124 M 4.3418 7.9219 118.5559 57.4378 32.2865 178.1415 125 I 4.1089 8.0476 120.6983 62.7479 37.6054 176.6453 126 K 3.9257 7.5967 118.3948 57.9048 32.2696 177.3063 127 G 3.9803 9.0583 111.1105 45.3423 0.0000 173.0305 128 K 4.8498 7.3973 118.6160 54.4737 34.8169 176.8036 129 T 4.3034 8.9978 112.6848 60.7873 71.0764 174.1484 130 P 4.2667 0.0000 0.0000 65.7172 31.1696 178.6540 131 E 3.9929 8.0955 117.7210 59.2644 29.8212 178.3569 132 E 3.9985 8.3219 118.5128 59.2265 29.3165 179.6212 133 I 3.9547 8.0516 120.3612 64.4828 37.3125 178.6523 134 R 4.0911 8.3177 116.5588 59.0723 29.0641 178.9268 135 T 3.8917 8.2883 117.5016 67.0465 68.3329 176.5756 136 T 3.7515 7.8765 116.3593 66.4809 68.5409 175.3888 137 F 4.5646 8.5809 116.8541 56.5272 39.6290 174.9441 138 N 4.2336 7.6459 118.3421 54.7575 37.5298 173.7036 139 I 4.5144 8.0020 117.3267 59.3332 39.4805 175.8031 140 K 4.4700 8.2742 123.1330 54.7940 34.0784 175.7936 141 N 4.4315 8.8428 122.1853 53.9966 39.1409 173.9165 142 D 4.9126 8.5143 124.6506 52.9654 39.9652 175.4219 143 F 4.7642 8.3960 118.8044 57.0269 40.2029 176.6431 144 T 4.0962 10.7500 116.4601 61.0990 70.4753 173.7631 145 P 4.2001 0.0000 0.0000 66.1923 31.4349 178.4463 146 E 3.9401 8.1315 117.3304 59.0841 29.6276 178.4531 147 E 3.9309 7.9472 118.6974 59.5997 29.6216 178.9901 148 E 3.3346 8.2701 119.1607 58.8203 29.4837 178.4863 149 E 3.7637 8.0866 119.4681 59.1552 29.7337 178.3605 150 E 3.7243 7.7890 118.7295 59.2546 29.6237 178.9359 151 V 3.4891 7.6682 118.1809 65.9247 31.5840 177.9657 152 R 3.7712 7.9222 118.5305 59.2257 29.8523 178.2529 153 R 3.2450 7.9546 118.8827 59.2439 29.9538 178.0111 154 E 3.7933 8.0023 118.8400 59.2503 29.6726 178.2880 155 N 4.5806 8.4511 116.8074 56.8409 38.4804 177.4627 156 Q 4.1250 7.9833 117.6244 58.7811 29.0001 178.3520 157 W 4.3777 8.6989 119.2284 58.6630 29.2116 177.0633 158 A 4.2936 7.9178 120.0512 52.4226 19.9003 177.2266 159 F 5.1882 8.0069 111.7245 57.0130 40.2065 174.8508 160 E 4.2891 8.1462 127.3212 56.4666 29.8098 175.0546 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 5 K 8.31 4.40 0.00 1.94 1.97 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.25 4.37 1.89 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 1.12 0.89 0.92 0.00 0.00 7 V 9.18 4.73 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 1.03 0.00 0.00 0.96 0.00 0.00 8 L 9.11 5.16 0.00 1.66 1.56 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.99 5.26 0.00 1.71 1.77 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.39 7.81 10 S 9.06 5.05 0.00 4.06 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 11 S 9.53 4.14 0.00 3.98 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 12 D 7.98 4.57 0.00 2.80 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 13 G 8.24 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 0.00 0.00 0.00 14 E 7.91 4.57 0.00 2.04 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 2.34 2.36 0.00 15 S 8.52 5.24 0.00 3.74 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 16 F 9.57 4.77 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 17 E 8.93 5.13 0.00 1.98 1.86 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 2.22 2.34 0.00 18 V 8.73 4.69 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 0.77 0.00 0.00 1.00 0.00 0.00 19 E 8.80 4.30 0.00 2.04 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 2.41 2.36 0.00 20 E 9.15 3.92 0.00 2.05 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 2.41 2.47 0.00 21 A 7.94 4.02 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 22 V 7.72 3.66 2.25 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 1.06 0.00 0.00 0.94 0.00 0.00 23 A 7.96 4.06 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 24 L 7.78 4.25 0.00 1.64 1.71 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.89 4.14 0.00 2.10 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 0.00 2.64 2.50 0.00 26 S 7.56 4.56 0.00 3.85 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 27 Q 8.72 4.05 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 28 T 7.60 3.79 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 0.86 0.00 0.00 29 I 7.96 3.64 1.97 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 1.40 0.45 0.92 0.00 0.00 30 A 7.98 3.97 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 31 H 7.70 4.54 0.00 3.07 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.65 4.22 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 33 V 8.25 3.76 2.27 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 1.01 0.00 0.00 0.98 0.00 0.00 34 E 7.86 4.16 0.00 1.99 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 0.00 2.31 2.50 0.00 35 D 8.10 4.23 0.00 2.87 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 *39 D 8.54 4.42 0.00 2.70 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 40 N 9.10 4.43 0.00 2.73 2.89 0.00 0.00 7.05 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 41 G 7.59 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 0.00 0.00 0.00 0.00 42 V 8.42 3.95 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 1.00 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.80 0.00 2.15 2.07 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 44 L 8.78 4.94 0.00 1.75 1.79 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.26 0.00 2.00 2.12 0.00 3.82 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 2.08 2.15 0.00 46 N 7.74 4.54 0.00 1.44 2.15 0.00 0.00 6.60 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 47 V 7.57 4.27 2.16 0.00 0.00 0.00 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 1.10 0.00 0.00 48 T 8.19 4.92 4.34 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 1.31 0.00 0.00 49 S 9.51 4.31 0.00 4.03 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 0.00 50 K 8.06 4.01 0.00 1.86 1.83 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.56 7.81 51 I 7.66 3.90 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.91 0.00 0.00 52 L 8.20 3.73 0.00 1.69 0.96 0.43 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.92 4.08 1.61 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 54 K 7.61 4.23 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 55 V 8.07 3.62 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 1.12 0.00 0.00 0.98 0.00 0.00 56 I 7.97 3.71 2.02 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.41 0.98 0.00 0.00 57 E 8.32 3.98 0.00 2.29 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 0.00 2.39 2.64 0.00 58 Y 8.09 4.11 0.00 3.15 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 59 C 8.60 4.22 0.00 3.06 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 60 K 8.50 3.89 0.00 1.97 1.86 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.68 7.81 61 R 7.57 3.81 0.00 1.87 1.94 0.00 3.20 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 62 H 7.85 4.13 0.00 2.78 3.22 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.84 3.73 2.29 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 0.82 0.00 0.00 0.99 0.00 0.00 64 E 8.29 3.87 0.00 2.12 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 0.00 2.33 2.45 0.00 *91 M 7.52 4.39 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 92 K 7.91 4.30 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 93 I 7.18 4.50 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 1.52 0.84 0.93 0.00 0.00 94 D 8.07 4.64 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 95 Q 8.26 3.59 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 96 A 7.74 3.76 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 97 T 7.70 3.84 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 1.22 0.00 0.00 98 L 7.93 3.99 0.00 1.89 1.93 0.99 0.94 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 99 F 8.37 4.39 0.00 3.21 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 0.00 100 E 8.25 4.02 0.00 2.21 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 0.00 2.31 2.34 0.00 101 L 8.26 3.96 0.00 2.06 1.65 0.90 1.02 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 0.00 102 I 8.00 3.67 1.86 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 1.89 0.85 0.89 0.00 0.00 103 L 7.69 3.96 0.00 1.81 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.03 4.07 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 0.00 105 A 8.32 3.88 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 0.00 106 N 8.52 4.24 0.00 2.83 2.98 0.00 0.00 6.82 7.99 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 0.00 107 Y 8.09 4.21 0.00 2.91 3.20 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 0.00 108 L 8.77 3.83 0.00 1.73 1.59 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.59 4.26 0.00 2.88 2.80 0.00 0.00 6.72 7.25 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 0.00 110 I 7.62 4.34 1.81 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 1.17 0.90 0.94 0.00 0.00 111 K 8.60 3.83 0.00 1.81 1.82 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 112 N 8.12 4.37 0.00 2.86 2.96 0.00 0.00 6.77 6.66 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 0.00 113 L 7.69 3.25 0.00 0.84 1.49 0.21 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.10 3.88 0.00 1.97 1.62 0.90 1.11 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 0.00 115 D 8.09 4.31 0.00 2.92 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 0.00 116 L 7.74 3.97 0.00 1.82 1.73 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.94 3.90 4.25 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 1.15 0.00 0.00 118 C 8.42 4.16 0.00 3.04 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 0.00 119 Q 8.55 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 120 T 7.60 3.92 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 1.26 0.00 0.00 121 V 8.09 3.93 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 1.16 0.00 0.00 1.13 0.00 0.00 122 A 8.29 4.01 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 0.00 123 D 8.16 4.40 0.00 2.87 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 0.00 124 M 7.92 4.34 0.00 2.19 2.62 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 125 I 8.05 4.11 2.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.88 0.90 0.00 0.00 126 K 7.60 3.93 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.71 7.81 127 G 9.06 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 0.00 128 K 7.40 4.85 0.00 1.92 1.77 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.39 7.81 129 T 9.00 4.30 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 1.26 0.00 0.00 130 P 0.00 4.27 0.00 2.20 2.19 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 131 E 8.10 3.99 0.00 2.11 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 0.00 2.40 2.48 0.00 132 E 8.32 4.00 0.00 2.25 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 2.36 2.38 0.00 133 I 8.05 3.95 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.95 0.00 0.00 134 R 8.32 4.09 0.00 2.29 2.26 0.00 2.82 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 135 T 8.29 3.89 4.46 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 1.22 0.00 0.00 136 T 7.88 3.75 3.91 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 1.07 0.00 0.00 137 F 8.58 4.56 0.00 3.21 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 0.00 138 N 7.65 4.23 0.00 2.81 2.93 0.00 0.00 7.02 8.70 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 0.00 139 I 8.00 4.51 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.92 0.00 0.00 140 K 8.27 4.47 0.00 1.86 1.82 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.39 7.81 141 N 8.84 4.43 0.00 2.76 2.84 0.00 0.00 6.94 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 0.00 142 D 8.51 4.91 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.40 4.76 0.00 3.21 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 0.00 144 T 10.75 4.10 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 1.28 0.00 0.00 145 P 0.00 4.20 0.00 2.18 2.18 0.00 3.62 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 2.14 2.20 0.00 146 E 8.13 3.94 0.00 2.03 1.94 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 2.36 2.37 0.00 147 E 7.95 3.93 0.00 2.41 2.23 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 2.42 2.38 0.00 148 E 8.27 3.33 0.00 1.79 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 2.13 1.93 0.00 149 E 8.09 3.76 0.00 2.13 2.01 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 2.18 2.21 0.00 150 E 7.79 3.72 0.00 2.10 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 2.23 2.22 0.00 151 V 7.67 3.49 1.74 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 0.89 0.00 0.00 0.84 0.00 0.00 152 R 7.92 3.77 0.00 1.90 1.91 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 153 R 7.95 3.24 0.00 1.43 1.61 0.00 2.53 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 154 E 8.00 3.79 0.00 2.23 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 0.00 2.43 2.34 0.00 155 N 8.45 4.58 0.00 3.02 2.93 0.00 0.00 7.10 7.10 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 0.00 156 Q 7.98 4.12 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 157 W 8.70 4.38 0.00 3.15 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 0.00 158 A 7.92 4.29 0.36 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 0.00 159 F 8.01 5.19 0.00 3.21 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 0.00 160 E 8.15 4.29 0.00 2.15 1.79 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 2.22 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.