NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.0976 8.2493 123.5841 50.8299 20.3534 173.6235 5 D 4.2475 8.2344 122.1648 51.6544 37.0285 171.2687 6 M 4.4292 8.2972 121.2969 54.5581 34.5609 174.1039 7 E 3.8915 8.5214 128.0359 56.1456 30.6811 173.7442 8 V 4.5044 8.2899 126.9003 60.6242 33.9264 173.7406 9 I 4.1622 8.2735 126.0636 57.9423 35.3245 170.6132 10 E 4.0609 8.6844 128.2888 56.0616 29.8899 177.0471 11 L 4.6979 7.9084 129.8231 52.1635 40.2992 176.5378 12 N 4.6287 9.3530 117.0208 53.5140 39.7334 173.0149 13 K 4.9120 8.0360 120.3952 55.3307 36.4719 175.5251 14 C 4.6237 8.4960 116.5115 57.3750 32.3856 173.5211 15 T 3.9357 8.7305 113.3640 65.6163 66.5517 176.0714 16 S 4.6726 7.5105 112.8020 57.3062 63.0830 172.9765 17 G 3.9621 7.4901 105.5525 45.5240 0.0000 172.4675 18 Q 4.7953 8.6026 119.7325 56.1201 31.4033 174.4634 19 S 4.9580 8.4332 125.0628 57.0982 65.7625 169.7591 20 F 4.9549 7.6386 109.9862 57.1546 39.4514 173.6313 21 E 4.3592 8.3979 125.1727 55.4334 31.0931 176.6230 22 V 4.8253 7.8542 122.8522 60.3930 31.3925 176.5723 23 I 3.6158 7.7954 115.9328 61.7984 36.0767 176.5219 24 L 4.4902 8.8140 128.5538 55.7211 43.3302 177.4897 25 K 4.5180 7.8255 118.8331 52.7844 33.9253 175.1880 26 P 4.2882 0.0000 0.0000 59.9050 32.4278 175.1608 27 P 4.2676 0.0000 0.0000 64.1378 30.9651 173.1501 28 S 3.5639 7.6572 122.6910 57.5742 62.7788 171.9541 *29 F 4.0531 8.8791 125.6064 57.8953 39.4064 170.9601 30 D 4.8937 8.4710 128.8062 52.0337 38.2753 172.6886 *45 P 4.2360 0.0000 0.0000 69.2269 32.6718 180.7523 46 S 3.5883 7.6906 116.8563 61.1886 63.6269 174.2758 47 L 3.8311 7.9130 130.1594 53.7062 38.4456 175.9816 48 E 4.1144 9.0985 125.7579 59.2747 29.9012 179.6873 49 E 3.9105 7.5341 119.8154 59.1791 31.2314 177.9395 50 I 4.2787 7.8897 119.7886 59.1725 34.1261 180.4453 51 Q 4.6056 7.6797 119.3711 55.9270 31.0039 177.2599 52 K 4.3819 7.5077 114.6357 56.1337 32.8814 177.1050 53 K 4.1742 7.8427 121.2505 58.1999 32.4375 178.0260 54 L 4.1566 7.8928 119.8981 56.5065 42.3345 177.2244 55 E 4.9861 8.1593 114.3795 56.2525 30.1825 176.8363 56 A 4.2910 7.8130 123.1158 54.7581 19.4625 179.7197 57 A 3.9216 7.7725 119.0776 55.5511 18.4896 179.3806 58 E 4.0900 7.7631 116.1743 58.2463 29.4644 178.2681 59 E 3.9650 7.8672 118.8209 59.2422 29.7723 177.9237 60 R 4.4596 7.8515 116.6710 57.9615 30.9407 177.8308 61 R 3.9161 8.0854 118.4394 59.0244 30.1806 178.1040 62 K 4.0794 8.2303 119.6397 58.9267 32.0146 178.6308 63 Y 4.3010 7.3167 118.5882 60.4352 39.1618 176.8504 64 Q 3.9373 8.1966 120.7541 59.2837 29.1046 178.2103 65 E 4.0209 8.1151 117.8123 59.0450 29.7717 177.7862 66 A 4.4181 7.5193 118.5374 52.4401 18.2854 177.9593 67 E 4.2554 7.7600 121.7663 57.9656 31.8326 176.9803 68 L 4.7427 7.6352 118.2368 54.3799 41.1290 180.1245 69 L 4.6130 7.6376 121.0205 57.2775 44.9791 177.5194 70 K 4.0975 7.6271 115.9127 57.9729 32.1502 176.3764 71 H 5.0034 8.4221 116.2889 55.8783 31.4365 175.2406 72 L 4.0815 7.5806 119.7094 57.1057 42.9735 177.6281 73 A 4.0781 9.0800 117.7960 52.8933 17.7546 176.9586 74 E 4.3665 7.7789 118.1629 58.7010 30.9589 178.0255 75 K 3.9627 7.6969 117.4069 57.9823 32.1599 178.2890 76 R 4.1260 7.4772 120.0648 58.0066 29.4102 176.6766 77 E 4.4285 8.0649 119.5747 56.7576 31.0036 177.7972 78 H 5.2758 8.1005 119.6878 57.4030 30.5656 175.2369 79 E 3.9421 8.5223 121.6087 59.5461 29.0323 178.7987 80 R 3.8889 7.9811 117.1371 59.3260 30.4992 177.5559 81 E 3.9387 9.0569 120.0773 59.0670 28.7028 181.7948 82 V 2.9372 7.6802 119.0045 63.1712 34.7133 180.7727 83 I 3.6508 7.8834 120.0645 62.2807 35.7293 178.9128 84 Q 4.4823 9.2762 121.0906 57.9579 30.0622 178.4255 85 K 4.0915 8.0501 114.7407 55.4193 31.4551 178.3464 86 A 4.5679 7.2730 120.7526 54.6727 21.0404 179.3170 87 I 3.6275 7.9060 117.0970 64.7706 38.0861 178.3678 88 E 4.2398 9.1911 115.7622 57.3905 29.7659 180.2691 89 E 4.4555 7.9454 114.1586 58.1681 30.3733 177.3341 90 N 4.5638 7.8841 119.0319 56.2607 39.2559 176.2588 91 N 4.1338 8.1548 118.0982 55.7248 37.0835 176.2474 92 N 4.4624 8.2640 117.4820 55.2130 38.8043 175.5938 93 F 4.7595 8.8120 122.5809 59.8105 40.4188 177.4951 94 I 3.4440 7.7999 121.3559 64.7525 36.7784 178.1703 95 K 4.2346 7.7328 120.9606 57.1753 31.9103 179.2404 96 M 4.4286 7.6493 120.1367 58.3152 32.5753 176.9029 97 A 4.4368 7.4647 117.8393 52.0180 19.0142 178.0544 98 K 4.0810 8.0061 121.4199 58.1561 32.3006 177.7753 99 E 4.5381 8.0154 118.5649 57.5134 30.8213 178.2853 100 K 4.1184 7.7414 123.1947 57.4536 31.5450 182.3354 101 L 4.2331 8.1719 118.8052 56.9890 41.6693 177.0187 102 A 4.2459 5.8000 120.1435 54.0263 18.8575 178.9941 103 Q 4.5317 7.6791 118.0418 57.0519 29.8014 181.1051 104 K 4.4574 9.3731 120.8720 58.5320 32.6602 177.0055 105 M 4.1863 7.9313 116.4627 55.7626 32.9829 176.0623 106 E 4.3453 7.6452 117.2116 57.2201 29.6459 177.0122 107 S 4.3162 7.8589 112.1465 60.9014 62.5167 175.1775 108 N 4.2922 7.5396 119.7963 56.5417 38.7655 176.4807 109 K 3.8775 7.8113 123.5199 60.5164 31.8875 179.1246 110 E 4.0328 7.8562 116.8426 60.8091 29.3259 180.5492 111 N 4.3521 7.4967 115.5514 56.9271 39.1911 176.7124 112 R 4.0015 8.1937 120.2193 59.4643 30.2293 177.9725 113 E 3.9649 8.0183 117.8250 59.2570 29.3969 178.6090 114 A 4.4366 7.4856 118.1528 52.4646 18.9724 177.7088 115 H 5.0015 10.1569 117.6414 57.1624 30.0369 177.5711 116 L 4.1665 7.6674 124.4205 59.3205 41.1465 183.9933 117 A 4.1962 7.9558 121.8253 55.1449 18.1197 179.5006 118 A 4.2471 7.5342 115.7786 54.5352 18.1012 178.7864 119 M 4.1801 8.3394 117.2195 57.9333 32.7497 178.1731 120 L 4.0338 7.6279 118.6482 57.6578 41.8211 178.4732 121 E 4.1405 8.5384 117.4983 57.7091 29.7700 177.2721 122 R 4.1737 7.7355 117.6895 59.0463 30.9363 178.3581 123 L 4.0671 8.3855 118.7400 57.6311 41.8809 178.7793 124 Q 4.1732 8.0815 115.9153 57.6439 28.4786 177.3423 125 E 4.5270 7.9491 118.5965 55.8710 31.7382 176.2811 126 K 4.3869 7.8703 117.7458 56.8054 32.5583 177.1738 127 D 4.5475 8.2331 120.8441 57.6663 41.4768 178.8770 128 K 4.3347 7.5839 121.2132 57.4094 32.0915 179.1781 129 H 4.9673 8.0103 121.0983 58.3114 31.4006 175.4988 130 A 3.8878 7.4621 124.1543 55.4170 18.2820 179.8451 131 E 4.1381 8.1981 119.2338 62.0542 29.1527 182.2302 132 E 4.5253 8.1399 117.4765 59.0463 29.6665 179.7335 133 V 4.4973 7.1861 110.7228 62.2810 33.0107 176.7274 134 R 4.4450 7.8572 121.8521 57.4897 32.5010 178.5787 135 K 4.0152 8.1668 120.4201 58.4255 31.6897 179.9853 136 N 5.0479 7.5711 113.3879 55.3798 40.2824 177.1573 137 K 4.2546 7.8588 127.4012 60.2774 32.1902 185.0000 138 E 4.6703 8.8670 119.6687 55.7596 28.7690 179.3116 139 L 4.6150 7.5978 117.0886 54.7790 43.4532 177.4340 140 K 4.2588 8.4089 127.8019 55.8207 32.7593 178.7337 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 4 A 8.25 4.10 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 5 D 8.23 4.25 0.00 3.05 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 6 M 8.30 4.43 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 7 E 8.52 3.89 0.00 2.14 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 2.15 2.27 0.00 8 V 8.29 4.50 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 0.77 0.00 0.00 0.93 0.00 0.00 9 I 8.27 4.16 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 0.57 0.91 0.00 0.00 10 E 8.68 4.06 0.00 1.93 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 2.30 2.47 0.00 11 L 7.91 4.70 0.00 1.42 1.62 0.93 1.12 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 12 N 9.35 4.63 0.00 2.82 3.14 0.00 0.00 6.82 6.02 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 13 K 8.04 4.91 0.00 1.74 1.65 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.45 7.81 14 C 8.50 4.62 0.00 3.01 3.02 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 15 T 8.73 3.94 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 16 S 7.51 4.67 0.00 3.82 3.77 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 17 G 7.49 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 18 Q 8.60 4.80 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 19 S 8.43 4.96 0.00 3.48 3.70 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 20 F 7.64 4.95 0.00 2.91 3.16 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 0.00 0.00 0.00 0.00 21 E 8.40 4.36 0.00 2.20 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 2.31 2.27 0.00 22 V 7.85 4.83 2.28 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 0.81 0.00 0.00 1.12 0.00 0.00 23 I 7.80 3.62 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 1.30 0.69 0.91 0.00 0.00 24 L 8.81 4.49 0.00 1.59 1.69 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.83 4.52 0.00 1.76 1.51 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.26 1.03 7.81 26 P 0.00 4.29 0.00 2.17 2.01 0.00 3.59 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 2.12 2.13 0.00 27 P 0.00 4.27 0.00 2.17 2.21 0.00 3.90 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 2.00 1.98 0.00 28 S 7.66 3.56 0.00 4.31 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 *29 F 8.88 4.05 0.00 2.32 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 0.00 0.00 0.00 0.00 30 D 8.47 4.89 0.00 2.69 1.76 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 *45 P 0.00 4.24 0.00 2.06 2.14 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 46 S 7.69 3.59 0.00 3.66 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 47 L 7.91 3.83 0.00 1.82 1.77 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.10 4.11 0.00 2.04 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 2.37 2.35 0.00 49 E 7.53 3.91 0.00 1.96 1.92 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 2.29 2.42 0.00 50 I 7.89 4.28 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 1.30 0.85 0.91 0.00 0.00 51 Q 7.68 4.61 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 52 K 7.51 4.38 0.00 1.93 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.35 7.81 53 K 7.84 4.17 0.00 1.75 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.36 7.81 54 L 7.89 4.16 0.00 1.76 1.64 0.92 0.86 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 55 E 8.16 4.99 0.00 2.09 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 2.17 2.27 0.00 56 A 7.81 4.29 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 57 A 7.77 3.92 1.35 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 58 E 7.76 4.09 0.00 1.88 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 2.32 2.33 0.00 59 E 7.87 3.97 0.00 2.17 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 0.00 2.29 2.36 0.00 60 R 7.85 4.46 0.00 1.94 2.00 0.00 3.20 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 61 R 8.09 3.92 0.00 1.89 1.88 0.00 3.22 0.00 0.00 3.35 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 62 K 8.23 4.08 0.00 2.17 1.94 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.42 7.81 63 Y 7.32 4.30 0.00 3.10 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 64 Q 8.20 3.94 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 65 E 8.12 4.02 0.00 2.18 2.18 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 2.35 2.31 0.00 66 A 7.52 4.42 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 67 E 7.76 4.26 0.00 1.70 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 2.00 2.12 0.00 68 L 7.64 4.74 0.00 1.72 1.52 0.92 0.80 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 69 L 7.64 4.61 0.00 1.85 1.55 0.90 0.51 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 70 K 7.63 4.10 0.00 1.97 1.78 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 71 H 8.42 5.00 0.00 3.13 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.58 4.08 0.00 1.83 1.58 0.85 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 73 A 9.08 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 4.37 0.00 1.96 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 2.24 2.26 0.00 75 K 7.70 3.96 0.00 1.64 1.79 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.31 7.81 76 R 7.48 4.13 0.00 2.10 1.72 0.00 3.22 0.00 0.00 3.08 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 77 E 8.06 4.43 0.00 2.00 1.92 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 2.29 2.36 0.00 78 H 8.10 5.28 0.00 3.25 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.52 3.94 0.00 2.32 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 2.33 2.37 0.00 80 R 7.98 3.89 0.00 1.84 1.95 0.00 3.53 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 81 E 9.06 3.94 0.00 2.28 1.66 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 2.28 2.34 0.00 82 V 7.68 2.94 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 0.73 0.00 0.00 0.93 0.00 0.00 83 I 7.88 3.65 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 1.35 1.09 0.91 0.00 0.00 84 Q 9.28 4.48 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 85 K 8.05 4.09 0.00 1.80 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.01 7.81 86 A 7.27 4.57 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 87 I 7.91 3.63 1.88 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 1.28 1.34 0.96 0.00 0.00 88 E 9.19 4.24 0.00 1.87 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 2.26 2.12 0.00 89 E 7.95 4.46 0.00 2.12 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 0.00 2.37 2.31 0.00 90 N 7.88 4.56 0.00 2.90 3.03 0.00 0.00 6.78 6.93 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 91 N 8.15 4.13 0.00 2.97 3.10 0.00 0.00 6.06 6.96 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 92 N 8.26 4.46 0.00 2.84 2.99 0.00 0.00 6.76 7.45 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 93 F 8.81 4.76 0.00 3.01 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 94 I 7.80 3.44 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 1.46 0.12 0.87 0.00 0.00 95 K 7.73 4.23 0.00 1.86 1.68 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.31 7.81 96 M 7.65 4.43 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 97 A 7.46 4.44 0.92 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 0.00 0.00 98 K 8.01 4.08 0.00 1.97 1.75 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 99 E 8.02 4.54 0.00 2.15 2.13 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 2.24 2.26 0.00 100 K 7.74 4.12 0.00 1.90 1.77 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.32 7.81 101 L 8.17 4.23 0.00 1.70 1.51 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 A 5.80 4.25 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 0.00 103 Q 7.68 4.53 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 104 K 9.37 4.46 0.00 1.80 2.10 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.42 7.81 105 M 7.93 4.19 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 106 E 7.65 4.35 0.00 2.38 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 2.24 2.43 0.00 107 S 7.86 4.32 0.00 3.92 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 0.00 108 N 7.54 4.29 0.00 3.05 2.94 0.00 0.00 6.63 6.89 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 0.00 109 K 7.81 3.88 0.00 1.79 1.80 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.62 7.81 110 E 7.86 4.03 0.00 2.07 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 2.24 2.19 0.00 111 N 7.50 4.35 0.00 3.04 2.86 0.00 0.00 7.16 7.53 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 0.00 112 R 8.19 4.00 0.00 1.93 1.89 0.00 3.19 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 113 E 8.02 3.96 0.00 2.18 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 2.35 2.37 0.00 114 A 7.49 4.44 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 0.00 115 H 10.16 5.00 0.00 3.42 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.67 4.17 0.00 1.65 1.66 0.92 0.80 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 0.00 117 A 7.96 4.20 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 0.00 118 A 7.53 4.25 1.46 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 0.00 0.00 119 M 8.34 4.18 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 120 L 7.63 4.03 0.00 1.73 1.70 0.92 0.84 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 0.00 121 E 8.54 4.14 0.00 1.92 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 2.33 2.25 0.00 122 R 7.74 4.17 0.00 1.92 2.06 0.00 3.14 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 123 L 8.39 4.07 0.00 1.93 1.69 0.97 0.88 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 0.00 124 Q 8.08 4.17 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 125 E 7.95 4.53 0.00 2.09 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 2.17 2.31 0.00 126 K 7.87 4.39 0.00 1.87 1.78 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.58 7.81 127 D 8.23 4.55 0.00 2.85 2.67 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 0.00 0.00 0.00 128 K 7.58 4.33 0.00 1.88 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.31 7.81 129 H 8.01 4.97 0.00 3.18 3.46 0.00 5.84 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 0.00 130 A 7.46 3.89 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 0.00 131 E 8.20 4.14 0.00 2.02 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 0.00 2.24 2.20 0.00 132 E 8.14 4.53 0.00 1.97 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 0.00 2.31 1.96 0.00 133 V 7.19 4.50 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 0.97 0.00 0.00 134 R 7.86 4.45 0.00 1.80 1.89 0.00 3.16 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 135 K 8.17 4.02 0.00 1.85 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.07 7.81 136 N 7.57 5.05 0.00 2.69 3.05 0.00 0.00 7.04 6.56 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 0.00 137 K 7.86 4.25 0.00 1.80 1.79 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.44 1.07 7.81 138 E 8.87 4.67 0.00 1.94 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 2.26 2.12 0.00 139 L 7.60 4.62 0.00 1.59 1.48 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.41 4.26 0.00 1.73 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.