NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 5.2480 8.3093 119.4038 57.5642 40.4667 175.2785 5 N 4.6814 8.6681 123.9985 51.4217 40.0185 175.4616 6 K 3.9213 9.3148 125.9043 60.1370 31.9877 178.4073 7 D 4.4759 8.0611 119.4882 57.2899 40.8458 178.7027 8 Q 3.4101 8.3435 118.5409 58.8455 28.6701 178.9973 9 L 4.2379 7.9892 122.3229 58.3357 41.5733 180.2352 10 E 3.8412 8.0022 118.3600 60.9541 29.7930 181.5940 11 E 4.0963 8.0322 120.6832 59.1386 29.5978 179.0073 12 F 4.6377 8.3640 118.3462 60.4375 38.9267 177.6733 13 K 3.1118 8.0414 121.8607 59.6241 31.7121 179.3375 14 E 3.9429 8.2523 118.4444 61.0720 29.4231 180.8993 15 A 4.3162 7.6975 120.3190 55.0266 18.8689 179.0237 16 F 4.1393 8.6278 119.4086 61.7603 39.5198 177.2806 17 E 4.1094 8.6958 118.0842 59.2382 28.9869 179.2383 18 L 3.9770 7.6319 118.6049 57.3738 41.7086 178.6487 19 F 4.4044 7.8026 115.1981 57.0301 39.1502 175.2224 20 D 4.5528 7.5182 118.8560 53.5584 40.3713 176.0775 21 R 4.5610 8.4301 124.8941 56.0168 30.3752 177.2469 22 V 4.2015 7.8339 116.3733 61.6824 33.2060 176.4204 23 G 3.9897 8.4549 106.7783 45.4214 0.0000 173.4249 24 D 4.6084 7.9837 117.9351 53.0077 39.8618 176.8731 25 G 4.0274 8.5239 107.0892 46.3604 0.0000 173.1112 26 K 5.3683 8.2009 117.9916 54.2698 36.6744 175.1329 27 I 4.4001 8.3184 114.7363 58.7846 41.2243 174.7912 28 L 4.7343 8.6208 122.1888 54.5632 42.6381 178.0570 29 Y 4.1903 9.0729 119.7909 61.6923 37.6572 179.6305 30 S 4.3329 7.7861 111.9297 60.8192 63.4476 175.6853 31 Q 4.2470 7.9914 121.0010 57.2290 28.7117 177.4754 32 C 4.3027 8.0079 118.9764 62.9178 28.2238 176.0713 33 G 3.6836 8.1256 106.5628 48.0610 0.0000 175.1756 34 D 4.3406 7.9786 120.7979 57.0527 41.0016 178.9559 35 V 2.8361 7.3833 118.6992 65.8888 31.4454 177.9749 36 M 4.1247 8.0871 118.4799 58.5599 31.8672 179.0326 37 R 4.7782 8.2646 119.2869 58.7907 30.0436 178.9701 38 A 4.1675 8.0937 119.6280 54.3963 18.3618 178.5806 39 L 4.4549 7.2885 115.2052 54.5686 41.9931 177.5510 40 G 4.0241 7.8899 107.7204 45.1961 0.0000 174.4432 41 Q 4.3291 8.0562 119.0898 55.6237 30.1316 175.1728 42 N 5.3010 8.2366 115.3653 51.3914 38.9809 172.8575 43 P 4.6776 0.0000 0.0000 62.2205 33.2731 177.7179 44 T 4.2162 8.4797 111.2434 61.4563 70.8757 175.4993 45 N 4.3235 9.3414 119.6688 56.3702 38.4589 177.7043 46 A 3.9741 8.0922 121.7165 55.2689 18.5044 179.4924 47 E 3.9001 8.1379 117.1254 59.4873 29.5602 179.8490 48 V 3.5312 7.7727 118.2340 66.0582 31.5975 178.1680 49 L 4.0355 8.1351 118.8398 57.4043 41.3864 179.4599 50 K 3.8971 8.1691 119.7367 59.7334 32.0116 179.4418 51 V 3.6418 7.5006 110.9773 63.9464 31.4815 177.9770 52 L 4.0497 7.5299 117.2037 55.3913 41.5762 177.5480 53 G 3.7950 7.7060 107.0038 45.9291 0.0000 173.6975 54 N 4.1663 8.4641 113.3829 53.2544 36.2486 172.6465 55 P 4.5056 0.0000 0.0000 62.3636 32.9739 177.9179 56 K 4.3198 8.5125 119.1812 55.6184 34.1402 178.1747 57 S 4.1986 8.8443 118.9547 62.8755 62.5930 177.4200 58 D 4.3666 7.9860 124.1234 58.0513 39.6975 179.9956 59 E 4.1449 8.0181 118.8584 58.6373 29.5813 178.6264 60 L 4.0532 8.0926 121.8199 57.3893 41.9130 178.3441 61 K 4.3999 7.6326 117.0402 57.9168 33.2196 177.4337 62 S 4.5530 7.6654 114.2950 58.5250 65.5707 175.1322 63 R 4.1184 8.0123 122.1350 56.6641 30.0803 181.0583 64 R 5.3626 8.6410 122.2807 53.7042 33.1465 175.6756 65 V 4.7904 8.9871 116.2412 59.5466 35.7382 175.7055 66 D 5.3247 8.6961 123.3180 51.6505 41.0874 176.8607 67 F 2.9151 8.7082 120.1400 61.2251 38.7783 176.6888 68 E 3.9013 8.0588 116.8934 59.4688 29.3810 178.8157 69 T 4.1016 7.6960 115.0295 66.0898 68.9925 176.5144 70 F 4.1901 8.0428 122.7096 60.8961 39.2465 176.7411 71 L 3.4872 7.4449 119.9258 57.8139 41.7887 177.1094 72 P 4.1113 0.0000 0.0000 65.9490 31.1330 178.5365 73 M 3.8323 7.5306 116.8345 58.0489 31.8715 178.2024 74 L 3.6249 6.9271 120.2760 58.1232 42.2040 178.8717 75 Q 3.9532 8.2462 117.9441 59.1011 28.4688 178.9781 76 A 3.9283 7.7838 120.2229 55.1066 18.4654 179.5247 77 V 3.6152 7.5074 115.5151 66.1016 31.6834 177.8205 78 A 4.5253 8.3101 121.1888 53.2609 19.3511 178.5913 79 K 4.1042 7.6377 118.4259 55.8790 31.4543 175.3518 *86 Y 4.6888 7.9239 130.9560 58.9949 41.0692 177.6388 87 E 4.2923 8.5092 121.1535 61.7102 29.7352 182.2107 88 D 4.6092 8.1834 121.1125 58.6397 39.7169 180.7193 89 Y 4.1144 8.0398 117.6693 60.7386 37.8566 178.4452 90 L 4.1071 7.8184 120.9380 58.2166 42.1730 178.6079 91 E 4.0652 8.1544 119.2660 59.1643 29.3038 178.7473 92 G 3.6374 8.1118 105.2227 48.1041 0.0000 175.3109 93 F 4.2803 8.1792 122.0858 60.5654 38.4347 178.5264 94 R 3.9351 7.8285 119.7785 60.2672 28.9144 182.1583 95 V 3.5677 7.0363 115.9896 66.0991 31.4077 176.5001 96 F 4.7779 7.1338 113.4732 57.1402 39.8552 177.9478 97 D 5.3599 6.7492 121.4348 53.3798 40.4500 177.5008 *100 G 3.8104 8.5525 102.7999 46.2317 0.0000 172.8471 101 N 4.7044 8.5096 113.8078 51.7366 38.0964 177.9319 102 G 3.7757 8.7159 108.7985 47.1562 0.0000 173.9493 103 K 5.4011 7.8063 121.5571 52.2602 36.7354 178.5961 104 V 4.6703 8.1380 116.9000 62.5570 35.1636 173.9599 105 M 4.4791 9.0093 127.2213 55.8829 32.6157 177.8677 106 G 3.6009 9.2183 110.9947 47.1912 0.0000 176.1034 107 A 3.9649 7.9168 122.6963 54.9567 18.4004 179.2522 108 E 3.8416 8.0298 117.2888 59.2702 29.8904 178.4691 109 L 3.6103 7.7568 120.3897 58.0619 42.1915 179.1452 110 R 3.8473 8.1225 118.1466 59.4702 29.8934 178.5046 111 H 4.0927 8.1578 117.8644 59.4826 29.9194 177.8029 112 V 3.5467 7.8431 114.2791 64.2550 31.2338 178.6345 113 L 3.9761 7.9830 119.0031 57.0923 41.2497 178.5715 114 T 4.7359 7.7445 108.4946 61.5308 69.3942 175.2245 115 T 4.4585 7.6306 109.6565 60.8052 70.4617 173.6132 116 L 4.7132 7.6916 120.9700 53.2851 45.3292 178.3546 117 G 3.6717 8.2129 107.7259 47.3568 0.0000 177.1074 118 E 4.3402 8.4741 117.3060 54.1322 28.1072 174.8731 119 K 4.1515 8.1081 120.6585 57.2410 32.9863 175.9571 120 M 4.7736 8.8315 123.7745 53.6038 35.1955 175.7399 121 T 4.2390 8.4670 110.6572 61.4125 70.0234 175.4321 122 E 3.9708 8.8553 122.8543 59.3893 29.6506 179.0424 123 E 3.9883 8.0829 118.4448 59.1821 29.5881 178.7036 124 E 3.9735 8.1655 118.7110 59.5664 29.5561 179.7002 125 V 3.6551 7.7896 118.1503 65.8707 31.4419 177.6891 126 E 3.9782 8.5188 119.4456 59.4044 29.2135 179.0386 127 T 3.9420 7.6935 115.2007 66.7112 68.6880 176.9183 128 V 3.9089 7.5048 119.3716 64.5044 31.8959 177.6775 129 L 4.3570 8.1456 118.0257 54.4462 41.6133 176.5604 130 A 4.1994 7.2395 123.5582 53.5605 18.4980 178.0334 131 G 3.9782 9.0768 111.5536 45.8701 0.0000 173.4133 132 H 4.6772 7.9749 115.0927 55.6946 29.8193 174.8393 133 E 4.8031 7.9113 118.0208 54.6251 31.7615 175.7922 134 D 5.0101 8.2796 121.0231 52.3224 42.0552 176.8085 135 S 4.1781 8.6127 112.2577 61.9327 63.2592 175.2347 136 N 4.3414 8.0194 117.1832 54.3123 38.8639 174.6775 137 G 3.7389 8.1625 105.8167 46.6906 0.0000 172.6636 138 C 5.3459 7.9449 114.7106 57.6679 32.7043 174.3183 139 I 4.8786 8.2829 123.1815 59.2716 39.5976 174.3735 140 N 4.7650 8.8179 126.1744 53.7966 39.1138 174.8957 141 Y 4.2038 8.1045 126.4408 59.6708 38.3830 177.5734 142 E 3.9507 7.6008 120.0768 59.1601 29.7265 178.9216 143 A 3.9955 7.9567 120.8796 55.1302 18.6338 179.4906 144 F 4.1664 8.6052 119.6436 61.1475 39.3955 177.2309 145 L 3.7690 8.3130 123.0408 58.5076 42.0304 179.5548 146 K 4.0378 7.9547 123.6203 60.0361 31.3545 180.2063 147 H 4.3172 7.7994 118.3147 59.1081 29.9882 177.0841 148 I 3.7547 7.0650 111.5316 62.3340 37.7245 176.6683 149 L 4.2659 7.2513 120.6075 56.2251 42.3627 176.5836 150 S 4.3920 7.5401 118.7457 59.1083 62.9422 173.7588 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 F 8.31 5.25 0.00 3.16 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 5 N 8.67 4.68 0.00 3.00 2.99 0.00 0.00 6.79 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 6 K 9.31 3.92 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.11 7.81 7 D 8.06 4.48 0.00 2.86 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 8 Q 8.34 3.41 0.00 1.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 9 L 7.99 4.24 0.00 1.87 1.83 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.00 3.84 0.00 1.99 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 2.24 2.18 0.00 11 E 8.03 4.10 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 12 F 8.36 4.64 0.00 3.18 3.26 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 13 K 8.04 3.11 0.00 0.79 1.54 0.00 1.12 0.00 0.00 1.39 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 0.79 7.81 14 E 8.25 3.94 0.00 2.02 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 2.25 2.20 0.00 15 A 7.70 4.32 1.55 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 16 F 8.63 4.14 0.00 3.27 3.25 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 17 E 8.70 4.11 0.00 2.21 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 2.68 2.50 0.00 18 L 7.63 3.98 0.00 1.67 1.48 0.88 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 19 F 7.80 4.40 0.00 2.92 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 20 D 7.52 4.55 0.00 2.74 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 21 R 8.43 4.56 0.00 1.82 1.91 0.00 3.18 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 22 V 7.83 4.20 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 0.83 0.00 0.00 0.93 0.00 0.00 23 G 8.45 3.99 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 0.00 0.00 0.00 24 D 7.98 4.61 0.00 2.83 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 25 G 8.52 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.20 5.37 0.00 2.01 1.83 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.66 7.81 27 I 8.32 4.40 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 -0.08 0.00 0.00 28 L 8.62 4.73 0.00 1.70 1.70 0.95 1.08 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 29 Y 9.07 4.19 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 30 S 7.79 4.33 0.00 4.11 4.12 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 0.00 0.00 0.00 31 Q 7.99 4.25 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 32 C 8.01 4.30 0.00 3.14 3.10 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 33 G 8.13 3.68 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 0.00 0.00 0.00 34 D 7.98 4.34 0.00 2.69 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 35 V 7.38 2.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.12 0.00 0.00 36 M 8.09 4.12 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.48 0.00 37 R 8.26 4.78 0.00 2.03 1.98 0.00 3.15 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 38 A 8.09 4.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.29 4.45 0.00 1.71 1.32 0.97 0.72 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 40 G 7.89 4.02 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 0.00 0.00 0.00 41 Q 8.06 4.33 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 42 N 8.24 5.30 0.00 2.71 2.78 0.00 0.00 7.00 8.02 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 43 P 0.00 4.68 0.00 2.16 2.03 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 44 T 8.48 4.22 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 1.21 0.00 0.00 45 N 9.34 4.32 0.00 2.73 2.92 0.00 0.00 7.27 6.71 0.00 0.00 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 A 8.09 3.97 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 47 E 8.14 3.90 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 48 V 7.77 3.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 49 L 8.14 4.04 0.00 1.87 1.72 0.93 0.73 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 50 K 8.17 3.90 0.00 1.92 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 51 V 7.50 3.64 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 0.76 0.00 0.00 0.91 0.00 0.00 52 L 7.53 4.05 0.00 1.80 1.65 0.91 0.18 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 53 G 7.71 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 54 N 8.46 4.17 0.00 2.79 2.83 0.00 0.00 6.86 8.57 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 55 P 0.00 4.51 0.00 2.28 2.31 0.00 3.83 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 2.11 2.28 0.00 56 K 8.51 4.32 0.00 1.78 1.76 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.43 7.81 57 S 8.84 4.20 0.00 4.04 4.17 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 58 D 7.99 4.37 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.14 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 60 L 8.09 4.05 0.00 1.95 1.93 1.05 0.35 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 61 K 7.63 4.40 0.00 1.91 1.92 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.54 7.81 62 S 7.67 4.55 0.00 4.07 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 63 R 8.01 4.12 0.00 1.50 1.81 0.00 3.21 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 64 R 8.64 5.36 0.00 1.71 1.91 0.00 3.13 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 65 V 8.99 4.79 2.26 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 1.06 0.00 0.00 1.22 0.00 0.00 66 D 8.70 5.32 0.00 3.03 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 67 F 8.71 2.92 0.00 2.57 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 68 E 8.06 3.90 0.00 1.97 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 2.36 2.51 0.00 69 T 7.70 4.10 4.31 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 1.25 0.00 0.00 70 F 8.04 4.19 0.00 3.20 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.44 3.49 0.00 1.19 1.52 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.11 0.00 2.08 2.02 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 73 M 7.53 3.83 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 74 L 6.93 3.62 0.00 0.97 1.52 0.75 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.25 3.95 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.64 0.00 76 A 7.78 3.93 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 77 V 7.51 3.62 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 0.82 0.00 0.00 0.92 0.00 0.00 78 A 8.31 4.53 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.10 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.39 7.81 *86 Y 7.92 4.69 0.00 3.02 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 87 E 8.51 4.29 0.00 2.01 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 2.31 1.94 0.00 88 D 8.18 4.61 0.00 2.68 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 89 Y 8.04 4.11 0.00 3.03 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 90 L 7.82 4.11 0.00 1.86 1.73 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.15 4.07 0.00 2.23 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 2.29 2.33 0.00 92 G 8.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.18 4.28 0.00 3.02 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 0.00 0.00 0.00 0.00 94 R 7.83 3.94 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 95 V 7.04 3.57 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 -0.02 0.00 0.00 0.71 0.00 0.00 96 F 7.13 4.78 0.00 3.07 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 97 D 6.75 5.36 0.00 2.72 2.49 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 *100 G 8.55 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.51 4.70 0.00 2.75 2.69 0.00 0.00 7.00 7.51 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 0.00 102 G 8.72 3.78 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 0.00 103 K 7.81 5.40 0.00 1.41 1.65 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 0.80 7.81 104 V 8.14 4.67 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 0.96 0.00 0.00 1.08 0.00 0.00 105 M 9.01 4.48 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 106 G 9.22 3.60 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 0.00 0.00 0.00 107 A 7.92 3.96 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 0.00 108 E 8.03 3.84 0.00 2.05 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 2.34 2.37 0.00 109 L 7.76 3.61 0.00 1.78 1.65 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.12 3.85 0.00 2.09 1.94 0.00 3.16 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 111 H 8.16 4.09 0.00 3.17 3.42 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.84 3.55 1.82 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 0.80 0.00 0.00 0.30 0.00 0.00 113 L 7.98 3.98 0.00 1.62 1.65 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.74 4.74 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 115 T 7.63 4.46 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 1.07 0.00 0.00 116 L 7.69 4.71 0.00 1.69 1.60 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.21 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 0.00 118 E 8.47 4.34 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 2.26 2.31 0.00 119 K 8.11 4.15 0.00 1.62 1.88 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 120 M 8.83 4.77 0.00 2.09 1.94 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 2.65 2.46 0.00 121 T 8.47 4.24 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 0.00 122 E 8.86 3.97 0.00 2.05 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 2.37 2.39 0.00 123 E 8.08 3.99 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 2.40 2.46 0.00 124 E 8.17 3.97 0.00 2.23 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 2.34 0.00 125 V 7.79 3.66 2.20 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 0.97 0.00 0.00 1.01 0.00 0.00 126 E 8.52 3.98 0.00 2.24 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 0.00 2.32 2.42 0.00 127 T 7.69 3.94 4.45 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 1.25 0.00 0.00 128 V 7.50 3.91 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 1.01 0.00 0.00 1.10 0.00 0.00 129 L 8.15 4.36 0.00 1.79 1.73 0.84 0.66 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 0.00 130 A 7.24 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 0.00 131 G 9.08 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 0.00 132 H 7.97 4.68 0.00 3.19 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 7.91 4.80 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 134 D 8.28 5.01 0.00 2.94 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 0.00 135 S 8.61 4.18 0.00 4.00 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 0.00 136 N 8.02 4.34 0.00 2.92 2.93 0.00 0.00 7.15 6.95 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 0.00 137 G 8.16 3.74 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 0.00 138 C 7.94 5.35 0.00 3.07 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.28 4.88 1.84 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.45 0.82 0.00 0.00 140 N 8.82 4.77 0.00 2.75 2.73 0.00 0.00 6.97 7.56 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 0.00 141 Y 8.10 4.20 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 0.00 142 E 7.60 3.95 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 1.93 1.90 0.00 143 A 7.96 4.00 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 0.00 144 F 8.61 4.17 0.00 3.17 3.11 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 0.00 145 L 8.31 3.77 0.00 1.41 1.73 1.04 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 0.00 146 K 7.95 4.04 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 147 H 7.80 4.32 0.00 3.22 3.42 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 0.00 148 I 7.06 3.75 1.72 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 1.30 0.59 0.27 0.00 0.00 149 L 7.25 4.27 0.00 1.84 1.69 0.69 1.04 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 0.00 150 S 7.54 4.39 0.00 3.96 3.74 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 * Residues marked with a * may have inaccurate shift predictions.