NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.6970 8.4444 117.8519 55.9254 29.1391 171.8294 9 V 4.3930 7.9686 123.3789 59.2121 34.3808 173.9893 10 F 4.3764 9.0513 125.4697 58.2062 40.5286 173.8345 11 S 4.2420 7.7348 122.2168 55.3070 63.2845 171.6008 12 P 4.1540 0.0000 0.0000 62.9956 31.7450 178.4822 13 Q 3.8875 8.9933 121.0214 58.0290 28.2508 176.5812 14 H 4.8212 7.9540 112.6853 55.5201 29.0717 176.7252 15 C 2.8442 7.8004 122.2596 59.5143 43.1645 176.3081 16 G 3.3455 7.6413 105.1188 46.9738 0.0000 173.8047 17 C 4.2272 7.6880 118.5690 60.3407 28.5491 174.0590 18 D 4.9182 8.3663 120.9970 54.9086 41.5751 176.2669 19 R 4.5349 7.4304 115.7931 55.4808 34.0302 173.6876 20 L 4.7824 8.1875 118.9458 53.9272 43.6269 176.9165 21 T 4.2905 8.4954 118.2559 65.5432 69.2030 175.2686 22 S 4.6328 7.5956 115.3026 56.6823 64.0334 174.4954 23 I 2.9063 7.5890 123.6797 62.2861 37.9791 177.3267 24 D 4.3475 7.6652 119.0783 57.2207 41.0325 177.5393 25 D 4.5901 7.7074 117.7693 55.2839 40.8907 178.5463 26 V 3.6462 7.2875 120.3881 65.9178 31.5849 177.8767 27 R 3.6311 7.5983 117.9911 59.3802 30.1014 178.0020 28 Q 4.0398 8.0119 118.9194 59.1827 29.0001 177.8452 29 C 4.2075 8.1591 119.7570 62.5676 31.7447 175.4750 30 L 4.2070 8.0330 120.6169 58.1103 41.2175 179.5783 31 T 3.9881 8.1038 115.6045 67.0496 68.4429 176.6077 32 E 4.3308 8.4167 120.0332 59.3277 29.4465 178.8707 33 Y 4.5416 8.3552 121.2553 60.5221 38.6970 178.2952 34 I 3.5700 7.8127 119.2476 64.2976 37.4465 177.5955 35 Y 4.1484 8.3430 120.5550 60.4568 38.3314 177.7305 36 W 4.1923 8.9820 129.7000 60.4957 30.9867 177.5741 37 S 3.8263 8.2729 113.9060 59.9526 62.1619 176.5539 38 S 4.3123 7.8275 119.5136 61.3897 62.5249 174.1738 39 Y 4.1941 6.9677 118.9163 57.4870 42.6970 175.8191 40 A 3.5452 6.1728 123.2403 54.1199 18.5873 178.6618 41 Y 3.1311 6.2555 113.3290 58.7129 37.9280 177.2955 42 R 4.0517 6.4300 115.7321 56.8779 30.0601 176.6235 43 N 4.7876 7.7758 113.5174 52.6372 40.5801 174.0614 44 R 4.5511 8.1488 118.2181 54.3402 32.1028 174.4241 45 Q 4.5155 8.7238 124.6983 55.3549 29.7518 176.5036 46 C 4.5034 8.6817 119.5431 55.1510 40.6883 173.6389 47 A 3.9928 8.3037 127.0209 52.5044 18.9756 177.8938 48 G 4.3596 7.0520 105.5648 45.0101 0.0000 174.8412 49 Q 4.0190 9.3072 119.4736 58.0100 28.5583 179.0044 50 L 3.8454 7.7838 121.4322 58.5292 41.7973 178.5194 51 Y 3.5738 7.9815 115.7494 60.3181 37.5469 178.1534 52 S 4.0751 7.4838 114.0082 61.5263 62.9206 175.9548 53 T 3.8134 7.7012 118.2882 66.4845 68.1119 176.3549 54 L 2.4435 7.1620 120.6698 57.5732 41.6383 179.8013 55 L 4.1723 7.7305 119.9678 57.0580 41.5472 179.3592 56 S 4.3862 7.6768 112.7795 60.2447 62.9502 175.9552 57 F 5.1558 8.1844 123.5541 59.3653 38.5208 176.9778 58 R 3.9925 8.1178 118.9510 59.5876 29.8847 178.1039 59 D 4.3744 8.3036 118.8086 57.4636 40.6830 178.4512 60 D 4.3816 8.1057 118.7340 56.8439 40.8797 178.5356 61 A 4.1040 8.2406 121.6975 55.4374 18.3965 179.4761 62 E 4.0532 8.3898 117.1867 59.5632 29.2417 179.5154 63 L 3.9498 7.6980 119.4274 57.5742 42.1863 178.4183 64 V 3.7949 7.1207 116.9832 63.8418 31.8953 176.4069 65 F 4.5319 7.9967 114.3953 56.2012 39.7285 176.2407 66 I 3.1940 7.5209 122.2737 61.2422 36.0824 174.4448 67 D 4.7055 8.2562 132.2770 53.0468 42.2334 175.3215 68 I 3.7164 8.0362 121.7590 63.1603 37.7067 177.9434 69 R 3.8269 7.8464 122.8049 60.1947 29.8668 178.9230 70 E 4.0199 8.4514 117.8240 60.6762 29.4150 180.7339 71 L 4.1974 7.4146 118.6098 58.3034 42.2293 178.7845 72 V 4.1856 7.8888 117.7475 65.9416 31.5192 177.8732 73 K 4.2758 7.4952 117.4715 59.3399 32.1029 180.5704 74 N 4.7522 7.6917 116.3340 51.7046 39.8566 174.2387 *76 P 4.1434 0.0000 0.0000 62.4697 31.5721 176.6600 77 W 4.1846 7.9264 124.8791 59.5321 29.4982 177.1458 78 D 4.4303 7.9485 116.7722 54.6230 39.4582 176.3238 79 D 4.6470 8.1079 119.6218 51.3691 42.5365 175.5540 80 V 3.6178 8.1854 125.8847 65.8091 31.8520 177.2976 81 K 3.8751 8.1636 117.6138 59.8151 31.9383 178.6228 82 D 4.3029 8.1602 117.5036 57.3013 41.1667 177.7347 83 C 3.8098 8.0594 117.1372 62.7299 28.0519 175.9480 84 A 3.9899 8.1034 122.2393 55.2007 17.6979 179.5178 85 E 3.9296 7.7844 116.0673 59.5298 29.8115 179.4186 86 I 3.8987 7.7412 119.7770 64.4178 37.1334 178.3345 87 I 3.9208 7.8928 120.7495 64.7038 37.0787 178.3963 88 R 4.7029 8.1560 118.7088 57.6793 29.5388 178.7452 89 C 4.1323 7.9912 117.1547 62.9336 28.2364 175.1493 90 Y 4.3556 8.2405 116.5434 59.5573 39.1208 176.1649 91 I 4.4222 8.1055 123.8860 58.7132 37.1404 174.3828 92 P 4.6956 0.0000 0.0000 64.9094 31.9156 178.0677 93 D 4.5755 7.7339 117.0980 53.4893 41.4823 176.0096 94 E 3.9288 8.6114 122.5642 58.9037 29.9169 176.6137 95 Q 4.1050 7.9174 119.8188 55.4461 28.3908 174.8024 96 K 4.6684 8.2016 124.9544 55.1660 34.2394 177.2520 97 T 4.3694 8.8089 112.5832 60.7238 71.6455 175.8297 98 I 3.5280 8.1503 121.2933 64.2680 37.7788 178.1111 99 R 3.8017 7.7850 119.1933 59.2757 30.0302 178.1273 100 E 3.8453 7.8996 118.2350 59.3936 29.5251 179.4360 101 I 3.6847 7.9021 120.0689 64.3689 37.1387 178.7192 102 S 3.4244 7.6948 115.3470 61.0621 62.5288 176.3125 103 A 4.1266 8.0337 123.7159 55.4597 18.0665 179.7803 104 I 3.8751 7.8195 118.0490 64.7256 37.2295 178.8103 105 I 3.9999 7.8725 120.5313 64.2621 37.0752 178.7079 106 G 3.8615 8.8434 107.0263 47.8730 0.0000 175.5101 107 L 4.0692 8.6388 123.5144 58.1390 42.1552 178.9012 108 C 4.2204 8.3662 116.5364 62.6653 28.0978 175.9627 109 A 3.8617 8.2910 122.6183 55.0311 17.8571 179.1315 110 Y 3.7675 8.0420 117.5310 60.7297 38.9420 177.8274 111 A 3.8435 8.3225 121.7154 55.1490 18.1957 179.5023 112 A 3.8379 7.8785 119.1562 55.4267 18.1519 180.1039 113 T 4.1505 7.2566 114.7471 66.1325 68.5575 176.0725 114 Y 3.6990 7.5682 120.7543 60.2217 38.8520 177.7583 115 W 4.6132 7.9081 117.0424 56.6663 29.7709 177.1068 116 G 4.0230 6.5340 107.4738 44.8582 0.0000 173.6994 117 G 3.8000 7.7244 109.3743 43.8639 0.0000 173.2763 118 E 4.1193 8.4224 116.1424 58.1297 30.0600 176.8093 119 D 4.8195 7.7375 114.2141 52.4098 41.5519 174.6561 120 H 4.2104 7.2937 115.7588 52.7131 31.3486 171.3410 121 P 4.6473 0.0000 0.0000 62.8031 32.1247 175.3299 122 T 4.7257 8.3823 108.9795 59.2844 72.8764 174.9985 123 S 4.1699 8.5628 116.9506 62.0813 62.8693 176.9293 124 N 4.2338 7.9732 118.6958 56.1820 38.0768 177.5206 125 S 4.0843 7.9031 114.6832 61.3177 63.3597 176.2796 126 L 4.0034 8.0792 122.5902 57.6813 41.3269 179.1734 127 N 4.7092 8.2841 116.1019 56.2608 38.1866 177.1864 128 A 4.1899 7.5821 121.2501 55.0776 18.4249 179.0493 129 L 3.9743 7.4285 117.9806 58.3237 42.4166 178.9234 130 F 4.7948 7.5436 116.8510 59.7737 38.7842 178.0946 131 V 3.9461 7.9203 115.1108 63.7331 31.1522 176.4992 *133 L 4.5445 7.8223 118.5572 54.5329 43.3224 178.5475 134 E 4.0239 8.3327 114.2220 56.9934 28.9391 175.9855 *136 L 4.0921 7.7362 116.2435 54.1863 42.6995 176.2997 137 N 5.0913 8.3830 120.9785 51.1865 39.7814 175.2853 138 Y 4.5620 9.0046 115.8458 60.4657 38.0063 178.2499 139 V 3.3067 7.0065 119.5173 65.6108 31.6068 177.6211 140 D 4.3273 8.4604 119.2902 57.3803 40.5102 178.2654 141 Y 4.2878 7.6178 117.0997 61.0386 37.5808 178.2395 142 N 4.5197 7.8832 117.1321 56.0373 38.8179 177.3815 143 I 3.9439 7.4013 120.4861 64.4463 37.4793 178.2952 144 I 3.7401 7.8946 118.8798 63.4416 37.5248 177.4062 145 F 4.4381 7.9835 120.7730 61.4422 39.2205 176.6451 146 R 3.9138 8.0197 116.0450 57.3920 30.2507 176.7153 147 R 4.3728 7.6089 118.3878 56.0211 30.7029 175.9557 *149 N 4.2872 8.1660 121.1938 53.8092 39.0364 173.4201 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 8 H 8.44 4.70 0.00 3.17 3.43 0.00 5.81 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.97 4.39 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 0.80 0.00 0.00 0.98 0.00 0.00 10 F 9.05 4.38 0.00 3.25 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 11 S 7.73 4.24 0.00 3.69 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 12 P 0.00 4.15 0.00 1.96 2.07 0.00 3.28 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 1.66 2.24 0.00 13 Q 8.99 3.89 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 14 H 7.95 4.82 0.00 3.34 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.80 2.84 0.00 2.68 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 16 G 7.64 3.35 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 0.00 17 C 7.69 4.23 0.00 3.25 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 18 D 8.37 4.92 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 19 R 7.43 4.53 0.00 1.75 1.89 0.00 3.51 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 L 8.19 4.78 0.00 1.89 1.80 1.04 0.76 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 21 T 8.50 4.29 4.30 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 1.26 0.00 0.00 22 S 7.60 4.63 0.00 3.84 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 23 I 7.59 2.91 1.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.72 0.00 0.00 24 D 7.67 4.35 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.71 4.59 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 26 V 7.29 3.65 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.02 0.00 0.00 27 R 7.60 3.63 0.00 1.20 1.66 0.00 3.11 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 28 Q 8.01 4.04 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 29 C 8.16 4.21 0.00 3.00 3.13 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 30 L 8.03 4.21 0.00 1.97 1.94 1.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.10 3.99 4.57 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 0.00 0.00 0.00 1.28 0.00 0.00 32 E 8.42 4.33 0.00 2.43 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 2.81 2.54 0.00 33 Y 8.36 4.54 0.00 2.87 3.24 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 34 I 7.81 3.57 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.01 0.85 0.00 0.00 35 Y 8.34 4.15 0.00 3.04 3.12 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 36 W 8.98 4.19 0.00 3.86 3.73 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 37 S 8.27 3.83 0.00 3.79 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.31 0.00 3.79 3.97 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 39 Y 6.97 4.19 0.00 2.87 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 40 A 6.17 3.55 0.98 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 41 Y 6.26 3.13 0.00 1.94 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 42 R 6.43 4.05 0.00 1.63 1.71 0.00 2.88 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 43 N 7.78 4.79 0.00 2.64 2.84 0.00 0.00 6.63 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 44 R 8.15 4.55 0.00 1.79 2.18 0.00 3.27 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 45 Q 8.72 4.52 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 46 C 8.68 4.50 0.00 2.29 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 0.00 0.00 0.00 0.00 47 A 8.30 3.99 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 48 G 7.05 4.36 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 49 Q 9.31 4.02 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 50 L 7.78 3.85 0.00 1.79 1.85 0.86 1.03 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 51 Y 7.98 3.57 0.00 2.85 2.85 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 0.00 0.00 0.00 52 S 7.48 4.08 0.00 3.79 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 53 T 7.70 3.81 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 1.03 0.00 0.00 54 L 7.16 2.44 0.00 0.74 0.20 -0.37 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.73 4.17 0.00 1.70 1.79 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.68 4.39 0.00 4.10 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 57 F 8.18 5.16 0.00 3.20 3.27 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 58 R 8.12 3.99 0.00 2.04 2.11 0.00 3.23 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 59 D 8.30 4.37 0.00 2.94 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 60 D 8.11 4.38 0.00 2.78 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 61 A 8.24 4.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.39 4.05 0.00 2.12 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 2.46 2.45 0.00 63 L 7.70 3.95 0.00 1.87 1.77 0.90 0.79 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 64 V 7.12 3.79 1.38 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 0.04 0.00 0.00 0.76 0.00 0.00 65 F 8.00 4.53 0.00 2.93 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.52 3.19 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.94 0.00 0.00 67 D 8.26 4.71 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 68 I 8.04 3.72 1.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.12 0.92 0.00 0.00 69 R 7.85 3.83 0.00 1.90 2.08 0.00 3.43 0.00 0.00 3.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 70 E 8.45 4.02 0.00 2.03 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 2.19 0.00 71 L 7.41 4.20 0.00 1.69 1.77 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.89 4.19 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 0.69 0.00 0.00 1.23 0.00 0.00 73 K 7.50 4.28 0.00 1.85 1.92 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.39 7.81 74 N 7.69 4.75 0.00 2.83 2.87 0.00 0.00 7.07 7.84 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 *76 P 0.00 4.14 0.00 2.19 2.17 0.00 3.06 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 77 W 7.93 4.18 0.00 2.80 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 78 D 7.95 4.43 0.00 2.76 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 79 D 8.11 4.65 0.00 2.70 2.48 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 80 V 8.19 3.62 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 1.13 0.00 0.00 1.11 0.00 0.00 81 K 8.16 3.88 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 82 D 8.16 4.30 0.00 2.95 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 83 C 8.06 3.81 0.00 3.00 2.56 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 0.00 0.00 0.00 0.00 84 A 8.10 3.99 1.38 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 85 E 7.78 3.93 0.00 2.16 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 2.47 2.49 0.00 86 I 7.74 3.90 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.95 0.00 0.00 87 I 7.89 3.92 2.07 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 1.37 0.80 1.09 0.00 0.00 88 R 8.16 4.70 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 89 C 7.99 4.13 0.00 3.21 2.75 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 90 Y 8.24 4.36 0.00 3.18 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 91 I 8.11 4.42 1.95 0.00 0.00 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 1.31 1.29 0.96 0.00 0.00 92 P 0.00 4.70 0.00 2.15 2.17 0.00 3.11 0.00 0.00 5.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 93 D 7.73 4.58 0.00 2.68 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 94 E 8.61 3.93 0.00 1.91 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 2.35 0.00 95 Q 7.92 4.11 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 96 K 8.20 4.67 0.00 1.72 1.66 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.56 7.81 97 T 8.81 4.37 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 1.21 0.00 0.00 98 I 8.15 3.53 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.25 0.86 0.00 0.00 99 R 7.78 3.80 0.00 1.85 1.82 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 100 E 7.90 3.85 0.00 2.10 1.93 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 2.24 2.27 0.00 101 I 7.90 3.68 1.75 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 1.42 1.13 0.80 0.00 0.00 102 S 7.69 3.42 0.00 3.64 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 0.00 103 A 8.03 4.13 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 0.00 104 I 7.82 3.88 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.84 1.00 0.00 0.00 105 I 7.87 4.00 2.23 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.12 1.31 0.00 0.00 106 G 8.84 3.86 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 0.00 0.00 0.00 107 L 8.64 4.07 0.00 1.69 1.91 0.72 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.37 4.22 0.00 3.20 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 0.00 109 A 8.29 3.86 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 0.00 110 Y 8.04 3.77 0.00 3.15 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 0.00 111 A 8.32 3.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 3.84 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 0.00 113 T 7.26 4.15 3.86 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 0.69 0.00 0.00 114 Y 7.57 3.70 0.00 2.38 2.62 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 0.00 115 W 7.91 4.61 0.00 3.26 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 0.00 116 G 6.53 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 0.00 117 G 7.72 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 0.00 118 E 8.42 4.12 0.00 2.01 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 2.22 2.19 0.00 119 D 7.74 4.82 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 0.00 120 H 7.29 4.21 0.00 3.09 3.19 0.00 5.46 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.65 0.00 2.23 2.11 0.00 3.30 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 122 T 8.38 4.73 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 1.31 0.00 0.00 123 S 8.56 4.17 0.00 3.87 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 0.00 124 N 7.97 4.23 0.00 2.36 1.88 0.00 0.00 6.87 7.07 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 0.00 125 S 7.90 4.08 0.00 4.14 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 0.00 126 L 8.08 4.00 0.00 1.97 1.80 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.28 4.71 0.00 3.06 3.15 0.00 0.00 6.93 7.03 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 0.00 128 A 7.58 4.19 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 0.00 129 L 7.43 3.97 0.00 1.44 1.34 1.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 130 F 7.54 4.79 0.00 3.34 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 0.00 131 V 7.92 3.95 2.55 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 0.91 0.00 0.00 1.20 0.00 0.00 *133 L 7.82 4.54 0.00 2.07 1.93 1.17 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.33 4.02 0.00 2.11 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 2.37 2.38 0.00 *136 L 7.74 4.09 0.00 1.47 0.99 0.82 0.94 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 0.00 137 N 8.38 5.09 0.00 3.19 3.06 0.00 0.00 6.39 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 0.00 138 Y 9.00 4.56 0.00 3.32 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 0.00 139 V 7.01 3.31 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 0.91 0.00 0.00 0.19 0.00 0.00 140 D 8.46 4.33 0.00 2.53 2.46 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 0.00 141 Y 7.62 4.29 0.00 3.19 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.88 4.52 0.00 2.80 2.94 0.00 0.00 7.06 7.30 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 0.00 143 I 7.40 3.94 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.88 0.00 0.00 144 I 7.89 3.74 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 1.15 0.00 0.00 145 F 7.98 4.44 0.00 3.19 3.42 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 0.00 146 R 8.02 3.91 0.00 1.84 1.92 0.00 3.37 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 147 R 7.61 4.37 0.00 2.10 2.12 0.00 3.12 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 *149 N 8.17 4.29 0.00 2.60 2.56 0.00 0.00 7.09 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 * Residues marked with a * may have inaccurate shift predictions.