NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8434 8.3393 109.7274 45.5760 0.0000 172.2764 2 I 4.2195 7.7034 112.3138 58.5683 39.8310 173.1189 3 S 4.6748 8.6878 117.0970 56.2224 67.1120 175.1297 4 Y 4.1450 8.4651 120.4421 58.6379 37.6756 177.2549 5 S 4.4135 8.5937 118.9517 58.7098 63.5793 174.2386 6 V 4.4469 7.1137 119.8275 60.7721 34.2491 175.0153 7 E 4.0514 8.6221 125.0151 56.8287 29.9398 176.8485 8 A 4.2437 7.9426 123.7725 51.0943 21.5068 175.8116 9 D 4.4523 8.7228 123.9500 53.3974 41.1619 174.8312 10 P 4.2345 0.0000 0.0000 65.9828 31.0510 177.2889 11 D 4.6489 8.6303 118.0568 56.5732 41.0946 176.9079 12 T 5.2192 8.5484 108.3442 61.3484 70.8220 173.1230 13 T 4.9186 7.9438 114.1122 61.2616 70.5901 172.4600 14 A 4.7501 8.8592 128.3523 50.0175 22.5295 175.1399 15 K 5.0798 8.0577 117.7547 54.8258 36.2809 175.0032 16 A 4.6383 8.7638 119.8446 52.2091 22.9480 175.3836 17 M 5.2514 8.5769 117.5789 54.1864 36.2860 174.3446 18 L 4.7796 8.6684 121.5449 53.2236 44.8285 175.7267 19 R 4.6410 8.1424 119.5303 55.4137 33.6064 174.8022 20 E 3.8461 10.1134 122.5633 56.7461 27.8393 175.4361 21 R 3.9406 8.2504 118.1469 56.9783 31.2697 176.3900 22 Q 5.3669 8.8733 123.1195 54.5747 28.4386 174.4522 23 M 4.6401 8.0439 119.4288 53.8555 34.5300 174.5304 24 S 4.0653 8.5821 114.3811 58.5250 62.9088 174.8199 25 F 4.4092 8.9028 129.9839 61.1940 38.8123 177.2163 26 K 3.5605 7.8427 117.9460 59.5956 31.8281 178.8991 27 H 4.0306 8.2477 116.6987 58.5078 28.5053 178.1727 28 S 4.2321 7.9653 117.1910 61.6075 62.7311 176.4492 29 K 3.6271 7.7086 121.0007 59.6581 31.6751 178.7945 30 A 3.8094 7.3587 120.0555 55.1544 18.0531 179.4055 31 I 3.4290 7.5577 116.8655 65.1941 37.4607 177.7867 32 A 3.7844 8.2403 120.4718 55.3543 17.7674 179.5311 33 R 3.6498 8.1620 117.4718 59.2727 30.6885 178.4227 34 E 3.9274 8.1406 118.2872 58.3627 29.9400 177.8195 35 I 3.9367 7.7621 112.2748 60.0484 38.2346 175.5992 36 K 4.0052 7.4981 122.2568 58.0989 32.3253 174.8698 37 G 4.1123 8.6070 114.2607 45.9196 0.0000 174.2889 38 K 4.2797 7.8952 118.2616 56.0804 32.9394 176.2258 39 T 4.5894 9.9587 118.8252 63.2994 69.9821 176.0224 40 A 4.0458 8.9438 129.2332 55.2387 18.4971 180.3767 41 G 3.5472 7.9194 104.2302 48.0891 0.0000 175.5028 42 E 3.9841 8.2641 120.8270 59.0314 29.4099 179.0335 43 A 4.0001 8.6023 120.8829 55.5726 18.4518 179.4102 44 V 3.5697 7.9006 116.2795 66.4023 31.6038 177.5757 45 D 4.4656 8.5864 118.4826 57.8515 40.2886 178.8819 46 Y 3.9532 8.5181 119.8914 60.8656 38.9287 178.1968 47 L 4.0024 8.5357 120.2637 57.6388 41.5617 179.3962 48 E 3.9399 8.6826 118.9308 59.4247 29.3500 179.1915 49 A 3.9035 7.8315 120.6508 54.9691 18.3347 180.0017 50 V 4.2356 7.2103 117.7033 65.8857 31.4771 178.4798 51 I 3.7578 8.0165 118.4606 63.9120 36.9900 177.2510 52 E 4.2466 8.3542 118.3869 55.9227 29.6671 176.5694 53 G 3.4276 7.8648 106.0038 47.0422 0.0000 173.9815 54 D 4.7585 8.7601 119.5289 53.7085 42.5157 176.4972 55 Q 4.3652 7.7403 120.6640 53.5450 31.3615 172.4143 56 P 4.0960 0.0000 0.0000 62.1533 32.4864 175.4194 57 V 4.4851 7.8178 119.2935 59.5400 33.3679 173.1387 58 P 4.5810 0.0000 0.0000 63.6039 31.8261 176.2885 59 F 4.8363 9.2449 124.2912 56.2968 38.6562 175.3447 60 K 3.9783 8.4729 123.3567 57.5152 32.9494 178.2282 61 Q 4.0713 7.8361 118.3986 58.2092 29.4668 176.3733 62 H 4.7120 7.5768 119.0816 54.2634 27.4998 174.1256 63 N 5.2396 8.2029 116.8172 51.6993 38.6219 175.0449 64 S 4.2435 8.2964 113.8515 60.1696 63.0994 175.1901 65 G 3.9372 8.9506 111.4920 45.6708 0.0000 173.8911 66 V 3.6785 7.8052 120.7891 62.5676 31.9921 175.9238 67 G 3.7560 8.4266 116.2365 45.2175 0.0000 173.0689 68 H 4.3259 8.5748 120.1621 55.5525 29.6006 175.0088 69 K 4.5730 8.4633 122.6642 54.3631 34.2075 177.5880 70 S 4.1542 8.7293 118.5150 61.0530 62.5606 175.1880 71 K 4.1630 7.9101 117.9600 57.9267 32.2233 177.3559 72 V 3.7467 7.4195 119.4105 62.5498 31.8780 174.3830 73 D 4.8079 8.6858 126.1362 53.5653 42.8682 176.5109 74 G 4.1274 9.7145 113.1700 45.6268 0.0000 172.2829 75 W 4.9736 7.5240 127.6122 56.6154 33.7066 172.7502 76 D 4.1486 6.0500 118.5786 54.1241 40.5690 176.5156 77 A 4.2524 6.9400 123.7806 51.2104 19.7540 177.7584 *78 G 3.9329 8.1740 106.7243 45.2577 0.0000 174.0585 79 R 4.0813 6.2558 118.7333 55.0925 34.4337 173.6042 80 Y 4.7311 8.0523 113.6648 55.8277 37.8019 175.3496 81 P 4.6620 0.0000 0.0000 61.7252 29.4806 176.3757 82 E 3.9434 8.5568 125.3357 60.4156 29.6047 178.6223 83 K 3.9976 8.2817 120.5386 59.2230 32.1414 178.1853 84 A 4.2057 8.0902 120.0098 55.2117 18.2062 179.5482 85 S 4.1259 8.1391 112.9248 61.6962 63.2554 176.7273 86 K 4.1549 9.0583 121.7791 59.5807 31.6883 179.1472 87 A 4.0666 8.1995 120.9114 55.3992 18.1728 179.7399 88 F 3.9379 8.5282 116.2564 60.3699 38.9218 177.9302 89 L 4.0740 8.0013 118.8051 58.0863 41.5063 179.1781 90 D 4.5982 8.2471 118.1735 57.2060 40.5470 178.6652 91 L 3.9152 7.5794 120.9316 58.2272 42.1808 178.9424 92 L 3.6868 8.3947 119.2310 57.5694 41.4612 179.3099 93 E 3.9049 8.7058 119.8700 59.1875 29.6940 177.9885 94 N 4.2301 8.2902 116.7129 57.1290 38.9592 175.9875 95 A 3.9392 8.7901 122.3866 55.7670 18.3584 179.5177 96 V 3.6499 8.4110 115.7205 66.4071 31.5945 178.1700 97 G 3.6664 8.4104 105.4062 47.4591 0.0000 174.9118 98 N 4.2307 8.6498 118.3816 56.0212 38.9825 177.2449 99 A 3.9825 8.3017 122.0581 55.6002 18.5116 179.5214 100 D 4.5730 8.3408 117.2752 57.6643 40.8449 178.1302 101 H 4.4128 8.6658 116.6266 57.9714 29.9055 175.8044 102 Q 4.5374 7.8007 117.2994 55.9063 29.9805 176.1230 103 G 3.9032 8.6112 108.1641 45.1589 0.0000 173.9411 104 F 4.4579 7.7632 117.9519 57.2385 39.8654 175.5203 105 D 4.7507 8.4330 121.7776 51.9577 39.4294 175.7644 106 G 3.8738 8.5546 111.0287 48.6797 0.0000 172.9726 107 E 3.8795 8.4782 118.4486 58.7957 29.7305 179.7965 108 A 4.0706 7.6412 118.3170 54.9445 18.7602 177.8033 109 M 4.3919 8.1515 116.1252 55.6543 33.5309 175.7561 110 T 4.6338 8.4164 117.7017 62.6166 71.1577 174.8260 111 I 4.4518 8.4038 126.6273 60.7225 36.5857 176.7157 112 K 3.9624 8.8628 128.9533 59.0780 32.7051 176.4054 113 H 5.0646 7.8314 118.7145 54.3985 33.8179 172.3387 114 V 5.3381 8.0920 118.4139 62.0521 33.4051 171.5974 115 A 4.7844 8.3682 126.3378 50.2375 22.7361 174.3244 116 A 5.1333 8.5421 121.9024 51.0904 21.4324 176.4073 117 H 5.0076 9.5449 116.8285 53.8372 33.4120 172.8199 118 K 3.7503 7.7436 124.6195 56.1876 31.6871 176.6173 119 V 3.7454 8.9979 128.7970 63.3620 32.3115 176.2943 120 G 3.9954 6.7067 106.5741 45.2101 0.0000 170.3844 121 E 5.0287 7.9471 118.2773 54.4270 32.9247 175.9986 122 Q 4.3534 9.2467 125.9450 54.9340 29.9433 174.9400 123 Q 4.7587 8.7057 126.2632 56.2160 29.8362 175.7939 124 G 4.6235 10.1730 109.2357 44.8868 0.0000 171.3092 125 R 5.3491 8.5266 119.5043 54.2325 33.6369 174.4786 126 K 4.3392 8.8473 124.9470 53.8654 35.2822 173.7836 127 P 4.5936 0.0000 0.0000 63.0274 32.1596 175.6824 128 R 4.8057 8.6846 121.5069 54.2049 34.4935 174.7259 129 A 4.1804 8.4616 122.2453 53.0891 19.1336 177.3705 130 M 3.0618 9.1845 115.2211 56.1806 29.3446 177.3845 131 G 3.8863 8.2372 104.2422 46.9293 0.0000 174.1430 132 R 4.7367 7.6955 117.0943 54.0002 33.4905 173.8100 133 A 5.3344 8.7341 126.7623 50.1844 22.2130 174.9767 134 S 4.9021 8.8675 113.6955 55.8556 67.1820 173.1898 135 A 4.6129 8.5837 121.6130 52.5899 19.0425 178.1925 136 W 4.9388 9.1965 129.9618 56.5215 32.5970 172.9653 137 N 5.4613 8.3200 121.0628 51.0817 41.6269 173.5228 138 S 4.8018 8.7607 116.9945 56.5153 65.5384 172.1073 139 P 4.7339 0.0000 0.0000 62.2833 33.0657 174.9679 140 Q 4.9276 9.3988 123.5289 54.3049 31.0004 174.7005 141 V 4.8754 9.6617 125.1615 61.1327 34.5884 174.0535 142 D 5.5312 8.8603 126.4993 52.7532 44.6735 175.5593 143 V 4.9774 8.1015 120.2842 60.6865 35.0973 172.8438 144 E 4.9503 8.9054 123.1128 54.7819 32.4900 174.6452 145 L 5.3509 8.8818 122.5049 53.7584 46.3366 174.8610 146 I 5.1107 9.2778 125.7731 59.5617 41.2476 174.1277 147 L 5.2435 9.2365 126.7021 52.8876 44.6714 175.1329 148 E 5.0193 8.8476 123.2362 53.8766 33.3179 174.6146 149 E 4.4472 8.7876 126.1912 55.8378 30.1944 175.5301 150 P 4.3901 0.0000 0.0000 63.3820 31.0276 175.9289 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 G 8.34 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.70 4.22 1.65 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.75 0.00 0.00 3 S 8.69 4.67 0.00 3.81 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 4 Y 8.47 4.15 0.00 3.05 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 5 S 8.59 4.41 0.00 3.98 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 6 V 7.11 4.45 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 0.81 0.00 0.00 0.86 0.00 0.00 7 E 8.62 4.05 0.00 1.99 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 2.31 2.31 0.00 8 A 7.94 4.24 1.07 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 0.00 0.00 9 D 8.72 4.45 0.00 2.69 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 10 P 0.00 4.23 0.00 2.23 2.19 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 11 D 8.63 4.65 0.00 2.91 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 12 T 8.55 5.22 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 1.34 0.00 0.00 13 T 7.94 4.92 4.15 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 1.10 0.00 0.00 14 A 8.86 4.75 0.97 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 0.00 0.00 15 K 8.06 5.08 0.00 1.39 1.39 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.90 1.10 7.81 16 A 8.76 4.64 1.24 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 0.00 0.00 17 M 8.58 5.25 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.49 0.00 18 L 8.67 4.78 0.00 1.43 1.44 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.14 4.64 0.00 1.60 1.74 0.00 3.46 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 20 E 10.11 3.85 0.00 1.93 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 2.23 2.22 0.00 21 R 8.25 3.94 0.00 1.77 1.86 0.00 3.27 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 22 Q 8.87 5.37 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.18 0.00 23 M 8.04 4.64 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 24 S 8.58 4.07 0.00 3.64 3.58 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 25 F 8.90 4.41 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.84 3.56 0.00 1.61 1.49 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 1.38 7.81 27 H 8.25 4.03 0.00 3.30 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.97 4.23 0.00 4.10 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 29 K 7.71 3.63 0.00 1.51 1.63 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.44 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.77 0.80 7.81 30 A 7.36 3.81 1.13 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 0.00 0.00 31 I 7.56 3.43 0.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.11 0.00 0.00 32 A 8.24 3.78 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 33 R 8.16 3.65 0.00 1.69 2.20 0.00 3.10 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 34 E 8.14 3.93 0.00 1.94 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 2.28 1.85 0.00 35 I 7.76 3.94 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.69 0.78 0.00 0.00 36 K 7.50 4.01 0.00 1.68 1.71 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.42 7.81 37 G 8.61 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 0.00 0.00 0.00 38 K 7.90 4.28 0.00 1.89 1.71 0.00 1.34 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.38 7.81 39 T 9.96 4.59 4.42 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 1.36 0.00 0.00 40 A 8.94 4.05 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 41 G 7.92 3.55 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 0.00 0.00 0.00 42 E 8.26 3.98 0.00 2.11 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 0.00 2.43 2.50 0.00 43 A 8.60 4.00 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 44 V 7.90 3.57 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 1.08 0.00 0.00 0.98 0.00 0.00 45 D 8.59 4.47 0.00 2.94 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 46 Y 8.52 3.95 0.00 3.14 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 47 L 8.54 4.00 0.00 1.85 1.75 1.13 1.04 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 8.68 3.94 0.00 2.11 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 2.35 2.52 0.00 49 A 7.83 3.90 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 50 V 7.21 4.24 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 1.30 0.00 0.00 0.44 0.00 0.00 51 I 8.02 3.76 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.92 0.00 0.00 52 E 8.35 4.25 0.00 1.97 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 2.26 2.43 0.00 53 G 7.86 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 54 D 8.76 4.76 0.00 2.57 2.68 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 0.00 0.00 0.00 0.00 55 Q 7.74 4.37 0.00 1.95 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 56 P 0.00 4.10 0.00 1.86 1.50 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 57 V 7.82 4.49 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 1.29 0.00 0.00 1.02 0.00 0.00 58 P 0.00 4.58 0.00 1.97 2.10 0.00 3.76 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 2.06 2.20 0.00 59 F 9.24 4.84 0.00 2.88 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 60 K 8.47 3.98 0.00 1.28 0.87 0.00 1.35 0.00 0.00 1.15 0.00 0.00 2.14 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.86 7.81 61 Q 7.84 4.07 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.24 0.00 0.00 0.00 0.00 0.00 1.45 2.08 0.00 62 H 7.58 4.71 0.00 3.02 3.20 0.00 5.69 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 63 N 8.20 5.24 0.00 3.00 3.46 0.00 0.00 5.86 7.64 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 64 S 8.30 4.24 0.00 4.03 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 65 G 8.95 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 66 V 7.81 3.68 2.24 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 0.66 0.00 0.00 1.13 0.00 0.00 67 G 8.43 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 68 H 8.57 4.33 0.00 3.06 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.46 4.57 0.00 1.66 1.61 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.19 7.81 70 S 8.73 4.15 0.00 3.82 3.90 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 71 K 7.91 4.16 0.00 1.81 1.88 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.45 7.81 72 V 7.42 3.75 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 0.89 0.00 0.00 0.93 0.00 0.00 73 D 8.69 4.81 0.00 2.80 2.51 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 74 G 9.71 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 0.00 0.00 0.00 75 W 7.52 4.97 0.00 3.20 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 76 D 6.05 4.15 0.00 1.79 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 0.00 0.00 0.00 77 A 6.94 4.25 1.44 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 0.00 0.00 0.00 *78 G 8.17 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 0.00 0.00 0.00 79 R 6.26 4.08 0.00 0.73 1.54 0.00 3.05 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.00 80 Y 8.05 4.73 0.00 2.81 3.06 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 81 P 0.00 4.66 0.00 2.33 2.12 0.00 3.82 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 2.14 2.18 0.00 82 E 8.56 3.94 0.00 2.25 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 2.42 2.44 0.00 83 K 8.28 4.00 0.00 1.90 1.97 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.60 7.81 84 A 8.09 4.21 1.49 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 85 S 8.14 4.13 0.00 4.10 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 86 K 9.06 4.15 0.00 1.99 1.91 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.71 7.81 87 A 8.20 4.07 1.45 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 0.00 0.00 0.00 88 F 8.53 3.94 0.00 3.37 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 89 L 8.00 4.07 0.00 2.01 1.77 0.97 1.12 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 90 D 8.25 4.60 0.00 2.92 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 91 L 7.58 3.92 0.00 1.61 1.82 0.86 0.40 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 92 L 8.39 3.69 0.00 1.90 1.77 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.71 3.90 0.00 2.06 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 0.00 2.32 2.33 0.00 94 N 8.29 4.23 0.00 2.89 3.00 0.00 0.00 7.19 7.49 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 95 A 8.79 3.94 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 96 V 8.41 3.65 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 1.18 0.00 0.00 0.97 0.00 0.00 97 G 8.41 3.67 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 0.00 0.00 0.00 98 N 8.65 4.23 0.00 2.93 2.95 0.00 0.00 7.02 6.46 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 99 A 8.30 3.98 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 0.00 100 D 8.34 4.57 0.00 2.90 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 0.00 101 H 8.67 4.41 0.00 3.06 3.53 0.00 5.91 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.80 4.54 0.00 2.56 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.38 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 103 G 8.61 3.90 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 0.00 0.00 0.00 104 F 7.76 4.46 0.00 3.20 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 0.00 105 D 8.43 4.75 0.00 2.67 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 0.00 106 G 8.55 3.87 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 0.00 0.00 0.00 107 E 8.48 3.88 0.00 2.06 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 0.00 2.44 2.37 0.00 108 A 7.64 4.07 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 0.00 109 M 8.15 4.39 0.00 1.92 2.20 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.51 0.00 110 T 8.42 4.63 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 1.26 0.00 0.00 111 I 8.40 4.45 1.94 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 1.13 1.08 0.93 0.00 0.00 112 K 8.86 3.96 0.00 1.78 1.94 0.00 2.05 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.39 7.81 113 H 7.83 5.06 0.00 3.22 3.10 0.00 5.76 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.09 5.34 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 0.78 0.00 0.00 1.14 0.00 0.00 115 A 8.37 4.78 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 A 8.54 5.13 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 0.00 117 H 9.54 5.01 0.00 3.01 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.74 3.75 0.00 0.79 1.06 0.00 1.41 0.00 0.00 1.39 0.00 0.00 2.57 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.13 1.09 7.81 119 V 9.00 3.75 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 0.72 0.00 0.00 0.94 0.00 0.00 120 G 6.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 5.03 0.00 1.78 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 2.14 2.20 0.00 122 Q 9.25 4.35 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 123 Q 8.71 4.76 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 124 G 10.17 4.62 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 0.00 125 R 8.53 5.35 0.00 1.78 1.76 0.00 3.28 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 126 K 8.85 4.34 0.00 1.07 1.50 0.00 1.14 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 1.17 7.81 127 P 0.00 4.59 0.00 1.89 1.92 0.00 3.49 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 128 R 8.68 4.81 0.00 1.80 1.84 0.00 3.34 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 129 A 8.46 4.18 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 0.00 130 M 9.18 3.06 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 131 G 8.24 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 0.00 0.00 0.00 132 R 7.70 4.74 0.00 1.93 1.92 0.00 3.05 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 133 A 8.73 5.33 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 0.00 134 S 8.87 4.90 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.58 4.61 1.29 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 0.00 0.00 0.00 136 W 9.20 4.94 0.00 3.44 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 0.00 137 N 8.32 5.46 0.00 2.59 2.83 0.00 0.00 7.12 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 0.00 138 S 8.76 4.80 0.00 3.75 3.75 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 0.00 139 P 0.00 4.73 0.00 2.26 1.93 0.00 3.54 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 2.08 2.07 0.00 140 Q 9.40 4.93 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 141 V 9.66 4.88 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 0.97 0.00 0.00 1.12 0.00 0.00 142 D 8.86 5.53 0.00 2.64 2.44 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 0.00 143 V 8.10 4.98 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 0.32 0.00 0.00 0.76 0.00 0.00 144 E 8.91 4.95 0.00 2.05 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 2.38 2.36 0.00 145 L 8.88 5.35 0.00 1.79 1.53 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 146 I 9.28 5.11 2.00 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 1.22 0.71 0.85 0.00 0.00 147 L 9.24 5.24 0.00 1.38 1.44 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.85 5.02 0.00 1.94 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 2.18 2.38 0.00 149 E 8.79 4.45 0.00 1.99 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 2.70 2.77 0.00 150 P 0.00 4.39 0.00 2.18 2.08 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.