NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5006 8.1776 115.4159 58.3802 65.5932 175.7333 5 V 3.4438 7.8575 121.2139 63.8903 30.9743 176.7287 6 K 3.9924 8.8421 121.5107 58.8083 32.3259 179.3403 7 E 4.2051 8.0382 117.1770 58.1787 30.0073 178.3423 8 S 4.2936 8.5673 114.0916 61.5501 62.6810 176.3809 9 V 3.5314 7.7844 120.9973 65.8185 30.9828 177.8463 10 S 4.3268 7.7553 112.6500 60.2286 62.9889 175.4833 11 R 4.5356 7.4916 119.9200 54.9033 30.6178 176.0202 12 I 4.0115 7.0378 121.0233 59.9600 37.6580 174.3106 13 P 4.3591 0.0000 0.0000 62.7607 31.7365 176.3282 14 L 4.6770 8.3353 122.1628 54.1986 43.1211 175.9107 15 L 4.9192 8.5219 119.6816 53.2558 44.1405 177.6693 16 K 4.5708 8.7496 118.9122 56.5324 34.0030 176.6721 17 T 4.4179 8.0050 115.4881 61.5533 69.8707 174.3522 18 K 4.2179 8.4444 127.9956 55.1566 31.2465 174.8862 19 A 4.7739 8.1274 126.1425 50.9212 22.1928 175.5612 20 G 4.3839 8.8797 109.5995 41.9400 0.0000 172.1480 21 P 2.9700 0.0000 0.0000 65.2979 31.0715 178.4909 22 R 4.1642 7.6086 113.8804 57.1669 29.7734 180.7826 23 D 4.9648 8.2665 117.2387 54.4263 42.5069 178.3169 24 G 4.0225 8.0328 113.8469 46.5922 0.0000 177.1712 25 D 4.4507 9.0070 126.5082 56.1139 39.0247 177.7081 26 K 4.1130 8.0829 119.6531 58.7619 32.0051 179.1265 27 W 4.5656 8.3041 128.5621 60.7334 30.7152 177.9827 28 T 3.5508 7.8981 115.0658 66.5178 67.7977 176.3805 29 A 3.9083 7.9756 122.5705 55.1270 18.3546 179.5690 30 R 3.7812 8.2666 117.5733 59.5324 30.1730 178.5013 31 L 3.2800 7.5212 120.4106 57.5278 41.7717 178.7882 32 K 3.7596 7.6239 119.6306 59.5649 32.0559 178.6552 33 E 3.9785 7.8306 118.8954 59.2450 29.2413 179.0959 34 E 4.0343 8.1480 118.6902 59.8361 29.5290 179.0279 35 Y 4.5027 8.4513 116.6917 61.2138 38.0370 178.6648 36 A 4.0602 8.4803 121.9708 55.1406 18.4812 179.6849 37 S 4.0898 8.5639 111.9993 61.4843 62.5015 176.2142 38 L 4.2131 8.3456 121.9596 58.0677 41.3809 179.4405 39 I 3.7344 8.1057 119.7506 64.8923 37.0143 178.5951 40 T 3.7952 7.8206 115.7833 66.7477 68.2141 175.9938 41 Y 4.3886 8.2312 121.4267 60.8442 38.7504 178.4287 42 V 3.1881 8.2357 119.4392 65.9031 31.6444 177.7222 43 E 3.9074 8.3909 118.6428 59.8429 29.1826 179.1249 44 H 4.3445 8.4920 116.4337 59.0223 28.7466 177.6225 45 N 4.3919 8.3775 118.4421 56.3437 38.4580 177.6739 46 K 3.9819 8.4164 120.0658 59.3078 31.8998 179.1586 47 A 4.2144 8.0848 120.1360 53.8250 18.3766 178.6902 48 S 4.5494 7.5827 111.3001 56.8716 64.2384 173.6714 49 D 4.4451 7.8332 120.0122 56.1477 39.7275 173.4909 50 S 4.8472 8.7432 106.7955 58.0717 64.0963 173.7876 51 H 4.2366 8.6408 121.2725 57.2750 30.0457 174.5054 52 W 3.8768 7.5670 120.8758 55.1748 30.2864 173.9676 53 F 4.5435 5.6932 112.6824 56.2234 40.0615 172.7638 54 H 5.0494 9.6142 120.2379 54.5885 32.8063 171.9707 55 L 5.2614 8.7652 124.7517 53.0534 44.9088 175.4224 56 E 4.6114 8.7491 121.6846 54.5474 33.7466 174.4936 57 S 4.1873 7.3690 114.2589 56.2921 66.4567 173.2194 58 N 4.5997 8.4469 118.1069 51.9011 37.6387 174.4453 59 P 4.2866 0.0000 0.0000 65.6655 30.5460 178.1283 60 Q 4.1820 8.1456 116.0560 56.6646 28.9889 177.4196 61 G 3.9169 8.1120 105.5352 46.2236 0.0000 174.2068 62 T 4.6916 7.7009 108.0400 61.6160 71.1737 174.3487 63 R 5.0352 8.5659 122.0078 54.0814 33.2880 174.7870 64 W 4.6985 9.1937 123.9214 54.9878 32.5982 174.2005 65 Y 4.9823 7.2336 119.5605 55.3909 40.5476 175.0013 66 G 4.4166 7.9512 107.5019 46.7378 0.0000 171.4352 67 T 5.2909 8.2699 113.0969 60.2365 72.9177 173.1830 68 C 5.5242 9.2500 116.4215 56.6737 33.5279 172.6586 69 W 5.9697 8.7541 116.1527 56.0470 31.2761 173.9091 70 T 4.9669 9.1861 115.9429 62.4857 72.8616 172.4813 71 Y 5.3639 8.8663 121.2958 56.8711 40.4022 174.9396 72 Y 4.7598 9.3218 123.7905 57.4084 42.0114 175.0037 73 K 3.6297 9.1651 128.5270 58.2378 29.8107 175.8862 74 N 4.5301 8.6426 110.8454 52.7990 34.6458 175.8092 75 E 4.9227 8.2425 117.7246 55.2781 33.3527 175.0022 76 K 4.1972 8.4659 124.6129 55.8396 33.6140 175.3256 77 Y 4.4301 8.8610 124.6889 56.1459 40.7852 174.0726 78 E 5.1837 8.4216 124.9709 54.3289 32.6001 174.9758 79 F 5.3708 9.1436 123.3702 55.7244 43.2793 174.5239 80 E 5.0572 9.4103 122.0803 55.7538 31.0819 175.3756 *82 N 4.8543 8.4871 117.2356 53.4165 39.2103 173.3054 83 F 5.1782 8.4527 113.2226 56.2314 41.4648 172.8112 84 D 5.3485 8.8356 120.4963 53.2230 43.0952 175.9892 85 I 4.2307 8.6671 122.8885 59.3058 37.9656 174.4814 86 P 4.3951 0.0000 0.0000 62.4698 31.8340 178.0806 87 V 3.5759 8.3670 120.6528 64.4847 31.5692 176.9708 88 T 4.3817 7.8111 109.1999 61.1791 69.0207 173.6565 89 Y 4.5777 8.1216 123.8954 57.3613 39.1153 174.8000 90 P 3.7624 0.0000 0.0000 62.6757 32.1162 176.8189 91 Q 4.0656 8.0093 118.8009 58.8260 28.5452 176.5824 92 A 4.6808 7.9454 121.2757 49.7967 20.2674 174.7701 93 P 4.1854 0.0000 0.0000 61.1414 32.2960 174.5047 94 P 4.4195 0.0000 0.0000 62.7741 31.9716 175.2780 95 E 4.4557 8.4564 118.8759 54.8971 30.9411 175.5268 96 I 4.5033 7.9926 124.4726 59.9494 39.0178 174.3602 97 A 4.8474 8.7902 129.3322 50.3541 21.1076 176.9321 98 L 4.8485 8.3073 121.5025 50.7625 41.6036 175.5200 99 P 4.2645 0.0000 0.0000 65.2258 31.8730 178.7936 100 E 4.1173 8.2566 116.4558 58.6977 29.6090 177.4744 101 L 4.4222 7.9500 117.4741 54.4001 42.3531 176.3409 102 E 3.9614 7.4703 118.1861 58.1939 29.6836 177.9569 103 G 3.9135 8.8448 110.6489 45.6800 0.0000 174.0327 104 K 3.7293 7.8695 117.8294 57.0940 32.8308 176.5034 105 T 4.6699 7.2740 111.4090 60.7347 70.0728 173.7517 106 V 3.8938 8.2943 119.4281 63.2531 32.6418 177.4604 107 K 4.2791 7.8322 122.5116 55.0743 30.4795 174.7879 *109 Y 4.7708 7.3156 120.2407 56.7311 39.5189 175.5188 110 R 3.6097 7.8363 115.6189 59.1677 28.0077 175.6426 111 G 3.8339 8.9065 112.0519 44.9840 0.0000 172.8833 112 G 3.7935 8.2163 105.7942 45.5894 0.0000 173.5099 113 K 4.3956 7.2422 119.2192 55.5697 32.3355 177.2219 114 I 3.7265 7.9719 119.3971 60.9795 38.1333 175.6123 115 C 4.7594 8.8038 123.0238 59.1039 29.8658 173.3470 *117 T 4.2549 8.1748 109.8678 61.6325 69.4379 175.0361 118 T 4.0947 8.6293 119.7694 67.5111 68.9761 176.2005 119 H 4.2691 8.2461 117.6479 58.0556 28.6309 177.3759 120 F 4.1846 8.0731 123.0879 61.2337 39.0919 177.1811 121 F 4.1393 7.6798 117.1303 60.2433 38.6910 175.9799 122 P 4.2865 0.0000 0.0000 65.4118 30.8409 178.4890 123 L 3.9031 7.3208 117.2580 57.6313 42.3459 178.3801 124 W 3.9303 8.0331 128.2649 60.4922 30.4155 177.5480 125 A 4.0136 8.1626 119.8360 54.9522 17.9141 178.9292 126 R 4.1913 7.3502 111.3180 56.6771 30.2534 176.6893 127 N 4.5813 7.1885 117.1810 52.8033 38.9272 174.0284 128 V 3.3293 6.9953 118.5580 61.7773 31.1981 173.7520 129 P 4.2794 0.0000 0.0000 62.6676 31.5455 176.7848 130 Y 4.9165 6.6214 117.9231 59.7293 38.0990 175.4884 131 F 4.9297 6.8380 118.8680 55.9266 41.0724 175.9318 132 G 4.8713 8.3692 112.2588 45.1187 0.0000 173.0103 133 I 3.5666 8.8770 119.6759 64.5406 37.0971 178.0694 134 S 4.0715 8.1798 114.4803 62.2042 62.4610 176.3633 135 H 3.9787 7.9560 119.0738 58.1660 28.4242 177.5784 136 V 3.7435 8.0074 120.2061 66.2151 31.2825 178.1743 137 L 3.9771 7.9968 118.3846 57.7389 41.2081 179.3934 138 A 4.3478 7.9141 119.7403 54.7575 18.4817 178.9308 139 L 4.5171 8.5748 116.1888 56.2538 42.5118 178.0476 140 G 3.3575 8.1323 105.2909 46.4065 0.0000 175.7193 141 L 4.0389 7.5082 122.1348 57.0917 42.5608 179.1262 142 G 3.0712 8.5608 106.0911 47.4418 0.0000 173.7392 143 P 4.2045 0.0000 0.0000 64.5009 31.4289 178.3671 144 W 4.0423 7.9476 127.2247 60.5663 30.5694 177.8891 145 L 4.1053 8.3871 118.8301 58.1969 40.9145 179.8701 146 S 4.1434 7.7768 113.3494 60.8347 62.6988 175.9012 147 I 3.9470 7.0343 120.1815 63.1227 38.3302 177.1310 148 E 3.7622 7.4967 119.1839 58.7853 29.0725 179.0971 149 V 3.4315 7.1045 117.2534 65.5831 31.8668 175.8846 150 P 3.3174 0.0000 0.0000 64.9738 31.0163 178.2573 151 A 3.8360 7.1563 116.5983 53.6405 18.5664 178.8699 *153 V 3.8418 7.7933 118.9006 63.5690 33.1159 177.3729 154 E 4.0270 7.9328 119.2985 58.9132 29.5759 177.6279 155 E 3.7572 8.1376 117.8508 57.6971 29.5189 177.8243 156 G 3.9421 7.4076 105.6993 45.4326 0.0000 173.9580 157 Y 4.6064 7.2382 116.6428 58.9198 38.4859 175.5246 158 L 5.0415 7.7649 118.9589 52.5997 45.0273 175.5475 159 K 4.9166 8.4072 120.0192 54.8938 35.9917 174.4722 160 P 4.5068 0.0000 0.0000 63.6241 30.7522 176.0511 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 S 8.18 4.50 0.00 4.05 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 5 V 7.86 3.44 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 0.76 0.00 0.00 0.95 0.00 0.00 6 K 8.84 3.99 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.55 7.81 7 E 8.04 4.21 0.00 2.00 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 2.30 2.31 0.00 8 S 8.57 4.29 0.00 3.96 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 9 V 7.78 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 0.89 0.00 0.00 0.96 0.00 0.00 10 S 7.76 4.33 0.00 4.04 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 0.00 11 R 7.49 4.54 0.00 1.98 2.02 0.00 3.33 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 12 I 7.04 4.01 1.72 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.52 0.61 0.00 0.00 13 P 0.00 4.36 0.00 2.10 2.04 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 14 L 8.34 4.68 0.00 1.70 1.81 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.52 4.92 0.00 1.93 1.76 1.09 0.79 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 16 K 8.75 4.57 0.00 1.77 1.88 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.40 7.81 17 T 8.00 4.42 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 18 K 8.44 4.22 0.00 1.61 1.73 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.45 7.81 19 A 8.13 4.77 1.43 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 20 G 8.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 2.97 0.00 1.64 1.52 0.00 3.33 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 0.00 22 R 7.61 4.16 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 23 D 8.27 4.96 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.03 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 25 D 9.01 4.45 0.00 2.99 2.98 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 26 K 8.08 4.11 0.00 2.01 1.99 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.63 7.81 27 W 8.30 4.57 0.00 3.60 3.33 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 28 T 7.90 3.55 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 1.16 0.00 0.00 29 A 7.98 3.91 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 30 R 8.27 3.78 0.00 2.07 2.05 0.00 3.21 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.63 0.00 31 L 7.52 3.28 0.00 0.92 1.08 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.62 3.76 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 E 7.83 3.98 0.00 2.16 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 2.34 2.46 0.00 34 E 8.15 4.03 0.00 2.05 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 2.54 2.45 0.00 35 Y 8.45 4.50 0.00 3.06 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 36 A 8.48 4.06 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 37 S 8.56 4.09 0.00 4.01 4.09 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 38 L 8.35 4.21 0.00 2.18 1.91 1.14 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.11 3.73 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 1.55 1.05 0.92 0.00 0.00 40 T 7.82 3.80 4.40 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 1.14 0.00 0.00 41 Y 8.23 4.39 0.00 3.05 3.29 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 42 V 8.24 3.19 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 0.79 0.00 0.00 0.76 0.00 0.00 43 E 8.39 3.91 0.00 2.11 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 2.30 2.47 0.00 44 H 8.49 4.34 0.00 3.41 3.41 0.00 5.62 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 45 N 8.38 4.39 0.00 2.68 2.96 0.00 0.00 7.06 8.33 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 46 K 8.42 3.98 0.00 1.86 1.81 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.30 1.30 7.81 47 A 8.08 4.21 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 48 S 7.58 4.55 0.00 4.01 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 49 D 7.83 4.45 0.00 2.82 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 50 S 8.74 4.85 0.00 4.01 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 51 H 8.64 4.24 0.00 3.12 3.44 0.00 5.69 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 52 W 7.57 3.88 0.00 3.23 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 53 F 5.69 4.54 0.00 2.66 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 0.00 0.00 0.00 54 H 9.61 5.05 0.00 3.44 3.42 0.00 5.72 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.77 5.26 0.00 1.78 1.85 0.86 1.06 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 56 E 8.75 4.61 0.00 1.47 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 2.08 2.05 0.00 57 S 7.37 4.19 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.45 4.60 0.00 3.10 3.05 0.00 0.00 7.42 7.92 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 59 P 0.00 4.29 0.00 2.08 2.17 0.00 3.68 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 2.03 2.10 0.00 60 Q 8.15 4.18 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.96 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 61 G 8.11 3.92 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 0.00 62 T 7.70 4.69 4.28 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 1.23 0.00 0.00 63 R 8.57 5.04 0.00 1.80 1.91 0.00 3.36 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 64 W 9.19 4.70 0.00 1.78 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 0.00 0.00 0.00 0.00 65 Y 7.23 4.98 0.00 3.06 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 66 G 7.95 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 0.00 0.00 0.00 0.00 67 T 8.27 5.29 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 68 C 9.25 5.52 0.00 3.40 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 69 W 8.75 5.97 0.00 3.25 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 70 T 9.19 4.97 4.47 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 1.33 0.00 0.00 71 Y 8.87 5.36 0.00 3.00 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 72 Y 9.32 4.76 0.00 3.07 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 73 K 9.17 3.63 0.00 1.86 1.78 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.64 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.50 1.09 7.81 74 N 8.64 4.53 0.00 2.92 2.82 0.00 0.00 6.69 7.66 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 75 E 8.24 4.92 0.00 2.13 1.62 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 2.22 2.26 0.00 76 K 8.47 4.20 0.00 1.63 1.45 0.00 1.47 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.73 7.81 77 Y 8.86 4.43 0.00 2.92 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 78 E 8.42 5.18 0.00 1.79 1.65 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 0.00 2.26 2.71 0.00 79 F 9.14 5.37 0.00 3.22 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 80 E 9.41 5.06 0.00 2.04 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 2.43 2.32 0.00 *82 N 8.49 4.85 0.00 3.05 3.08 0.00 0.00 5.47 8.12 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 83 F 8.45 5.18 0.00 3.05 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 84 D 8.84 5.35 0.00 2.62 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 85 I 8.67 4.23 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.20 0.44 0.00 0.00 86 P 0.00 4.40 0.00 2.28 2.03 0.00 3.67 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.14 0.00 87 V 8.37 3.58 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 0.73 0.00 0.00 0.86 0.00 0.00 88 T 7.81 4.38 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 1.22 0.00 0.00 89 Y 8.12 4.58 0.00 3.11 2.96 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 90 P 0.00 3.76 0.00 1.83 1.43 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 91 Q 8.01 4.07 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 92 A 7.95 4.68 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 93 P 0.00 4.19 0.00 1.68 0.49 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.43 0.00 94 P 0.00 4.42 0.00 2.03 2.16 0.00 3.45 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 1.45 1.59 0.00 95 E 8.46 4.46 0.00 1.95 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 2.34 2.34 0.00 96 I 7.99 4.50 1.59 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.19 0.80 0.00 0.00 97 A 8.79 4.85 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 98 L 8.31 4.85 0.00 1.37 1.46 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.26 0.00 2.19 2.09 0.00 3.64 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 2.10 0.00 100 E 8.26 4.12 0.00 2.14 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 2.40 2.43 0.00 101 L 7.95 4.42 0.00 1.83 1.73 0.70 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.47 3.96 0.00 1.97 1.90 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 2.32 2.37 0.00 103 G 8.84 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 0.00 0.00 0.00 0.00 104 K 7.87 3.73 0.00 1.86 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.05 1.22 7.81 105 T 7.27 4.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 106 V 8.29 3.89 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 0.78 0.00 0.00 0.95 0.00 0.00 107 K 7.83 4.28 0.00 1.93 2.04 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.76 7.81 *109 Y 7.32 4.77 0.00 3.21 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 0.00 110 R 7.84 3.61 0.00 1.96 2.01 0.00 3.05 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 111 G 8.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.22 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 0.00 0.00 0.00 113 K 7.24 4.40 0.00 0.79 1.15 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.19 1.14 7.81 114 I 7.97 3.73 0.56 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.13 -0.74 0.00 0.00 115 C 8.80 4.76 0.00 3.14 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 *117 T 8.17 4.25 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 1.29 0.00 0.00 118 T 8.63 4.09 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 1.24 0.00 0.00 119 H 8.25 4.27 0.00 3.31 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.07 4.18 0.00 3.01 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 0.00 121 F 7.68 4.14 0.00 3.10 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 0.00 122 P 0.00 4.29 0.00 2.19 2.13 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 123 L 7.32 3.90 0.00 1.81 1.81 0.96 1.15 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 0.00 124 W 8.03 3.93 0.00 2.84 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 0.00 125 A 8.16 4.01 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 0.00 126 R 7.35 4.19 0.00 1.83 1.96 0.00 2.98 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 127 N 7.19 4.58 0.00 1.44 1.42 0.00 0.00 6.56 7.00 0.00 0.00 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 V 7.00 3.33 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.57 0.00 0.00 129 P 0.00 4.28 0.00 1.99 1.93 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 130 Y 6.62 4.92 0.00 2.94 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 0.00 131 F 6.84 4.93 0.00 2.08 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 0.00 132 G 8.37 4.87 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 0.00 133 I 8.88 3.57 1.68 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.41 0.00 0.00 134 S 8.18 4.07 0.00 3.76 4.19 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 0.00 135 H 7.96 3.98 0.00 3.50 3.10 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.01 3.74 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 0.69 0.00 0.00 0.83 0.00 0.00 137 L 8.00 3.98 0.00 1.85 1.62 0.01 0.31 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 0.00 138 A 7.91 4.35 1.16 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 0.00 0.00 139 L 8.57 4.52 0.00 2.01 2.00 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.13 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.51 4.04 0.00 1.69 2.01 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.56 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 0.00 0.00 0.00 143 P 0.00 4.20 0.00 2.19 2.11 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 144 W 7.95 4.04 0.00 3.39 3.29 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 0.00 145 L 8.39 4.11 0.00 1.90 1.80 1.19 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.78 4.14 0.00 3.93 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 0.00 147 I 7.03 3.95 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.74 0.00 0.00 148 E 7.50 3.76 0.00 1.16 1.18 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 1.47 1.47 0.00 149 V 7.10 3.43 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 0.73 0.00 0.00 1.09 0.00 0.00 150 P 0.00 3.32 0.00 1.96 1.66 0.00 3.43 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 151 A 7.16 3.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 V 7.79 3.84 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 1.01 0.00 0.00 0.03 0.00 0.00 154 E 7.93 4.03 0.00 2.05 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 2.32 2.31 0.00 155 E 8.14 3.76 0.00 1.50 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 2.19 2.22 0.00 156 G 7.41 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 0.00 157 Y 7.24 4.61 0.00 3.02 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 0.00 158 L 7.76 5.04 0.00 1.58 1.59 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.41 4.92 0.00 1.87 1.82 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.51 7.81 160 P 0.00 4.51 0.00 2.05 1.97 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.