NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5957 8.1100 120.3985 55.7180 33.6932 175.6623 2 K 3.9112 9.1017 127.8192 58.2280 33.5765 171.1840 3 V 5.1977 8.5527 120.8913 61.0929 35.3838 173.1139 4 A 4.7924 8.6539 129.6154 50.2958 21.1026 175.5189 5 L 4.9810 8.4544 122.6911 53.6424 45.9926 175.0899 6 G 4.5209 8.5116 111.1823 44.7523 0.0000 171.2037 7 G 3.3897 8.2525 107.0758 46.6364 0.0000 174.2650 8 T 4.4867 8.2133 114.8767 63.2306 69.3102 175.6863 9 F 3.3258 7.4917 117.2286 58.5497 35.9335 175.2414 10 E 4.4748 8.0321 120.3303 53.5560 31.4182 173.0887 11 P 4.4547 0.0000 0.0000 61.8003 32.5033 175.8429 12 L 4.1979 8.2189 120.6869 54.5662 41.0586 174.9023 13 H 4.8984 8.1094 122.0784 53.1460 31.4728 174.9508 14 E 4.0133 8.5823 118.5959 59.1295 29.1940 178.7247 15 G 3.2714 7.7702 105.4412 48.1040 0.0000 175.0800 16 H 4.5522 7.9328 118.7176 58.6591 28.7326 177.8968 17 K 4.0122 8.2038 120.1157 59.2998 31.7985 179.6305 18 K 4.0939 8.2422 118.9104 59.3772 31.9300 179.2697 19 L 4.0814 8.2303 119.2550 58.0634 41.5306 179.7198 20 I 3.7327 8.2494 119.9335 64.3008 36.8967 178.0009 21 D 4.5939 8.4121 120.3189 56.8587 41.1313 178.4711 22 V 3.5873 7.9923 118.4587 65.9641 31.5276 177.7684 23 A 3.9927 8.2204 120.6680 55.3792 18.2255 179.7542 24 I 3.7131 7.9869 118.5377 64.3370 36.8890 178.8204 25 K 4.0974 8.0330 118.6942 59.3937 31.9068 179.1103 26 L 4.2294 8.0452 118.7232 56.8724 41.9019 178.6908 27 G 4.1017 8.4133 103.5849 43.0822 0.0000 174.3821 28 G 3.6645 8.7572 109.5633 47.1161 0.0000 176.1520 29 R 3.5470 8.3670 122.9976 57.0610 30.5985 175.7848 30 D 4.8058 8.0945 120.4014 54.1262 40.9122 175.0864 31 I 5.1105 7.4514 111.0392 59.4500 41.4118 175.8414 32 T 4.8291 8.8539 119.6866 62.0285 71.9826 172.9090 33 I 4.7354 8.7926 128.0648 59.6780 39.1601 175.1478 34 G 4.3071 9.3157 116.1694 45.5431 0.0000 172.2015 35 V 5.4268 8.9199 124.8631 60.7909 34.6862 174.9631 36 T 4.5991 8.9644 118.9179 61.6432 69.8556 174.1551 37 S 4.4827 8.9436 119.4001 58.5283 64.0935 174.9548 38 D 4.4191 8.9667 120.3739 57.7175 40.2748 179.2885 39 R 3.8949 7.9204 116.8269 59.7015 30.3508 178.3473 40 M 4.1640 7.9515 117.0984 58.4371 32.2032 178.0266 41 A 4.1147 8.3572 121.3264 55.3570 18.3706 179.8993 42 R 4.3075 8.1319 116.4495 58.6081 30.1521 178.8005 43 A 4.1477 7.5924 118.3136 54.0288 18.3830 179.0620 44 R 4.3621 7.8353 115.3720 56.7212 31.5160 175.9942 45 I 4.6479 7.4199 110.0132 58.7073 40.7308 174.9005 46 R 4.3806 8.1788 121.3974 55.2605 28.2542 173.8490 47 S 4.6280 8.1573 116.5897 57.5392 63.1801 174.1734 48 V 4.3023 9.4137 119.9578 60.9453 32.5174 175.3342 49 L 4.6856 7.8019 120.7188 52.0529 43.4012 175.4348 50 P 4.6140 0.0000 0.0000 62.1594 33.3154 176.8938 51 F 4.0741 9.3862 123.0552 61.9383 39.2708 177.7058 52 A 3.8566 8.2610 119.3695 55.2664 18.0141 179.5921 53 I 3.6599 7.5708 117.6545 64.4380 37.3648 178.6212 54 R 3.8322 7.9742 118.6610 59.1434 29.8373 178.8973 55 A 3.7227 7.8347 120.8231 55.2568 18.2347 179.6069 56 E 3.8271 8.0306 116.9658 59.4289 29.5131 179.2815 57 N 4.2855 8.3667 116.9870 56.2684 38.5465 177.6337 58 V 3.4110 7.6370 119.4875 65.8218 31.5215 178.1445 59 K 3.8240 8.0748 118.4042 59.6795 31.8418 179.5957 60 R 3.8718 8.3389 118.6433 59.0919 29.9505 178.5028 61 Y 3.9583 7.9181 119.3013 60.7191 38.8202 178.2423 62 V 3.4924 7.9082 119.2113 66.0132 31.5750 177.4762 63 M 4.0378 7.9608 119.3548 58.0961 31.8698 178.0887 64 R 3.7695 7.7305 117.3043 59.1778 30.3023 177.8919 65 K 3.9246 7.4777 116.1278 57.1662 32.7161 176.9309 66 Y 4.5232 8.0079 114.5807 56.6248 39.7608 176.9156 67 G 4.1464 8.6938 107.8670 45.6564 0.0000 173.1622 68 F 4.9404 7.3995 112.8160 54.6732 40.9821 172.9856 69 E 4.4521 8.7687 123.0188 54.2992 29.6670 174.4229 70 P 4.7155 0.0000 0.0000 62.1337 32.4959 175.5076 71 E 4.1492 8.8537 121.3956 56.6380 30.5880 175.1917 72 I 5.0534 8.4592 127.6406 59.7029 39.5346 175.3753 73 V 4.6208 8.6144 119.4043 59.1308 35.1677 174.9422 74 K 4.6788 8.7971 126.4403 56.5597 32.9957 175.9717 75 I 4.3793 8.8686 129.5078 60.6109 38.1181 176.3265 76 T 4.6630 8.6695 115.9133 61.0484 69.7547 172.8526 77 N 5.0604 7.6404 118.6164 50.9732 40.3107 173.4115 78 P 4.1968 0.0000 0.0000 65.4881 31.5569 177.3624 79 Y 4.2997 8.9856 115.1822 57.4711 39.4476 176.9701 80 G 3.7513 7.5601 108.6297 47.1812 0.0000 174.5992 81 K 4.5043 8.6873 124.1377 56.3245 32.0966 177.5486 82 T 4.5520 8.2285 109.2889 63.0442 68.9270 175.1606 83 L 4.4131 7.8789 121.0357 55.2653 42.4658 175.6376 84 D 4.6897 7.9546 115.4745 55.6208 43.0669 176.2699 85 V 3.6191 7.6628 118.0647 62.3641 32.0604 175.0228 86 D 4.6107 8.1812 126.0037 53.3653 41.2650 175.7634 87 F 5.7315 8.3562 122.6529 55.1661 41.2434 175.7253 88 E 4.0383 9.1553 123.8228 58.8518 30.6044 176.0746 89 Y 5.3861 7.9687 115.3413 55.9733 42.6597 174.4158 90 L 4.9303 8.9666 124.1368 53.4155 44.9522 175.1502 91 V 4.7144 8.5767 127.6033 61.8580 32.5885 175.4168 92 V 4.6080 8.8276 120.4382 59.8467 36.8550 174.4957 93 S 4.7384 7.9762 116.6395 54.9576 65.4441 173.4262 94 P 4.1773 0.0000 0.0000 65.4889 31.1070 178.8160 95 E 4.1070 7.4886 116.8443 58.0455 29.5953 178.0392 96 T 4.4397 7.2529 107.8616 61.3491 69.3974 175.2838 97 Y 4.0817 7.5567 123.6058 61.1019 38.8251 177.4485 98 E 3.7440 8.1238 119.0943 59.5677 29.5556 178.9044 99 M 3.8990 7.8588 117.5475 58.2358 32.3466 177.8484 100 A 3.9217 7.7585 121.0879 55.2204 18.5657 179.5670 101 L 3.7858 7.5831 117.3316 57.6769 41.5237 179.6993 102 K 4.0870 7.9341 119.5573 59.4679 32.0564 178.6473 103 I 3.9585 8.1251 120.5356 64.9469 37.0410 178.2043 104 N 4.4119 8.1697 116.8929 56.1739 38.3154 177.6178 105 Q 3.9856 8.0977 119.6329 59.0018 28.8519 179.0443 106 K 4.0222 8.4394 119.7630 59.3376 31.9976 179.5644 107 R 3.9085 8.3606 118.8379 59.3500 29.5052 178.6637 108 E 3.9318 8.4501 119.1455 59.4039 29.4037 178.7207 109 E 4.0019 8.0748 117.5817 59.2331 29.5911 178.8246 110 L 4.2601 7.8425 117.5904 55.2832 41.9918 177.4451 111 G 3.8893 7.8995 105.9163 45.9234 0.0000 173.2645 112 K 4.6302 7.8524 118.3059 53.5712 34.4783 176.9898 113 R 4.0950 8.2660 118.5725 55.7664 30.1149 176.8438 114 K 4.2838 8.3937 119.4403 56.7936 32.7901 176.2721 115 I 4.4593 8.4288 122.5247 60.1256 39.1076 175.8855 116 T 4.1680 8.3511 123.2397 63.6126 69.3073 173.7716 117 I 4.5893 8.4852 128.1361 60.6959 38.5323 175.7017 118 V 4.2258 9.0719 127.5542 61.0915 33.4191 173.8734 119 K 4.6459 8.5261 129.9687 55.0783 33.2294 175.5685 120 V 4.0904 8.7255 128.7392 61.4078 32.8121 175.0220 121 D 4.8140 8.6559 129.2739 53.5755 39.2182 176.6514 122 W 4.3943 8.5663 118.8408 56.2254 29.4043 176.5869 123 M 3.2470 7.5375 118.1489 57.2256 29.3516 179.0482 124 M 4.0194 7.3884 118.0654 53.3597 31.4509 176.1487 *132 S 4.2770 7.7078 115.7064 58.1954 64.7050 174.1150 133 S 4.5721 7.9611 112.5128 57.4104 64.7430 175.7251 134 T 3.9698 8.4668 112.4049 61.6230 68.9705 173.9632 135 R 4.0412 8.3869 123.3684 56.4191 30.7865 175.7278 136 I 4.4134 8.0575 124.6091 59.2128 39.4785 175.5275 137 K 4.1864 8.6127 125.1928 55.7082 31.4748 177.1063 138 R 4.5275 7.7504 123.2591 55.0473 30.5968 177.0613 139 G 4.1902 8.4652 108.2495 43.6937 0.0000 171.9676 140 E 4.5636 8.2252 119.8557 55.5184 30.5533 176.9513 141 I 4.0180 9.0298 114.6619 63.0913 38.7610 175.5488 142 D 4.6929 7.1495 124.0944 52.2018 40.0635 175.6771 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 M 8.11 4.60 0.00 1.85 1.69 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 2 K 9.10 3.91 0.00 2.23 2.00 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.70 7.81 3 V 8.55 5.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.13 0.00 0.00 4 A 8.65 4.79 0.03 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 5 L 8.45 4.98 0.00 1.74 1.49 1.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.51 4.52 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 0.00 0.00 0.00 7 G 8.25 3.39 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 0.00 8 T 8.21 4.49 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 1.24 0.00 0.00 9 F 7.49 3.33 0.00 3.13 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 10 E 8.03 4.47 0.00 1.90 1.83 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 2.19 2.27 0.00 11 P 0.00 4.45 0.00 2.22 2.06 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 12 L 8.22 4.20 0.00 1.58 1.58 0.50 0.85 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 13 H 8.11 4.90 0.00 3.19 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.58 4.01 0.00 2.04 1.88 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 2.34 2.40 0.00 15 G 7.77 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 0.00 0.00 0.00 16 H 7.93 4.55 0.00 3.33 3.63 0.00 5.63 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 17 K 8.20 4.01 0.00 1.96 1.96 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.21 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.59 1.40 7.81 18 K 8.24 4.09 0.00 2.16 1.97 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.86 7.81 19 L 8.23 4.08 0.00 2.10 1.84 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.25 3.73 2.17 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.93 0.00 0.00 21 D 8.41 4.59 0.00 3.12 2.91 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 22 V 7.99 3.59 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 0.90 0.00 0.00 1.01 0.00 0.00 23 A 8.22 3.99 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 24 I 7.99 3.71 1.48 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.48 0.88 0.00 0.00 25 K 8.03 4.10 0.00 1.93 1.89 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.55 1.65 7.81 26 L 8.05 4.23 0.00 1.73 1.66 0.54 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.41 4.10 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 0.00 0.00 0.00 28 G 8.76 3.66 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 0.00 0.00 0.00 29 R 8.37 3.55 0.00 1.61 1.69 0.00 2.21 0.00 0.00 2.54 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.26 0.00 30 D 8.09 4.81 0.00 2.66 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 31 I 7.45 5.11 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.99 1.01 0.00 0.00 32 T 8.85 4.83 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 1.39 0.00 0.00 33 I 8.79 4.74 1.85 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 1.18 0.81 0.85 0.00 0.00 34 G 9.32 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 0.00 0.00 0.00 0.00 35 V 8.92 5.43 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 1.16 0.00 0.00 0.98 0.00 0.00 36 T 8.96 4.60 4.29 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 1.26 0.00 0.00 37 S 8.94 4.48 0.00 3.83 4.05 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 38 D 8.97 4.42 0.00 2.74 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 39 R 7.92 3.89 0.00 1.77 2.00 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 40 M 7.95 4.16 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 41 A 8.36 4.11 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 42 R 8.13 4.31 0.00 2.01 2.02 0.00 3.14 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 43 A 7.59 4.15 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 44 R 7.84 4.36 0.00 1.90 1.99 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 45 I 7.42 4.65 1.88 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 1.20 1.12 0.93 0.00 0.00 46 R 8.18 4.38 0.00 1.80 1.91 0.00 3.23 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 47 S 8.16 4.63 0.00 3.90 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 48 V 9.41 4.30 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 0.82 0.00 0.00 0.98 0.00 0.00 49 L 7.80 4.69 0.00 1.76 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.61 0.00 2.19 2.03 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 51 F 9.39 4.07 0.00 3.22 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 52 A 8.26 3.86 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 53 I 7.57 3.66 1.99 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 1.63 0.97 0.89 0.00 0.00 54 R 7.97 3.83 0.00 1.91 1.99 0.00 3.45 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 55 A 7.83 3.72 0.79 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 56 E 8.03 3.83 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 57 N 8.37 4.29 0.00 2.81 2.82 0.00 0.00 6.62 8.03 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 58 V 7.64 3.41 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 0.73 0.00 0.00 0.20 0.00 0.00 59 K 8.07 3.82 0.00 1.89 1.78 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.57 7.81 60 R 8.34 3.87 0.00 1.82 1.96 0.00 3.11 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 61 Y 7.92 3.96 0.00 3.10 3.09 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 62 V 7.91 3.49 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.92 0.00 0.00 63 M 7.96 4.04 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 64 R 7.73 3.77 0.00 1.89 1.92 0.00 3.27 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 65 K 7.48 3.92 0.00 0.98 0.92 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.78 0.93 7.81 66 Y 8.01 4.52 0.00 2.88 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 67 G 8.69 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 0.00 0.00 0.00 68 F 7.40 4.94 0.00 3.24 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 69 E 8.77 4.45 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 P 0.00 4.72 0.00 2.21 1.91 0.00 3.70 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 71 E 8.85 4.15 0.00 2.15 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 2.45 2.41 0.00 72 I 8.46 5.05 1.92 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 0.95 1.03 0.00 0.00 73 V 8.61 4.62 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 0.82 0.00 0.00 1.09 0.00 0.00 74 K 8.80 4.68 0.00 1.32 1.54 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 0.74 7.81 75 I 8.87 4.38 1.94 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 1.35 0.58 0.97 0.00 0.00 76 T 8.67 4.66 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 1.14 0.00 0.00 77 N 7.64 5.06 0.00 3.00 2.96 0.00 0.00 6.19 7.76 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 78 P 0.00 4.20 0.00 1.67 1.96 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 79 Y 8.99 4.30 0.00 3.17 3.04 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 80 G 7.56 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 0.00 0.00 0.00 81 K 8.69 4.50 0.00 2.08 1.96 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.17 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.52 7.81 82 T 8.23 4.55 4.39 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 1.24 0.00 0.00 83 L 7.88 4.41 0.00 1.56 1.63 0.01 0.93 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 84 D 7.95 4.69 0.00 2.58 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 85 V 7.66 3.62 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 0.00 0.00 0.85 0.00 0.00 86 D 8.18 4.61 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.36 5.73 0.00 2.95 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 88 E 9.16 4.04 0.00 1.98 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 1.47 1.91 0.00 89 Y 7.97 5.39 0.00 2.95 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 90 L 8.97 4.93 0.00 1.71 1.52 0.79 0.72 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 91 V 8.58 4.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 92 V 8.83 4.61 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 0.64 0.00 0.00 1.01 0.00 0.00 93 S 7.98 4.74 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 94 P 0.00 4.18 0.00 2.13 2.06 0.00 2.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 95 E 7.49 4.11 0.00 1.77 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 2.42 2.43 0.00 96 T 7.25 4.44 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 1.08 0.00 0.00 97 Y 7.56 4.08 0.00 3.22 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 98 E 8.12 3.74 0.00 1.99 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 2.36 2.38 0.00 99 M 7.86 3.90 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 100 A 7.76 3.92 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 0.00 101 L 7.58 3.79 0.00 1.64 1.57 0.58 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.93 4.09 0.00 1.82 1.90 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.62 7.81 103 I 8.13 3.96 2.06 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 1.75 0.61 1.02 0.00 0.00 104 N 8.17 4.41 0.00 2.74 2.87 0.00 0.00 7.11 8.19 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 0.00 105 Q 8.10 3.99 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 106 K 8.44 4.02 0.00 1.79 1.74 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.73 7.81 107 R 8.36 3.91 0.00 1.99 2.14 0.00 3.42 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 108 E 8.45 3.93 0.00 2.02 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 2.30 2.35 0.00 109 E 8.07 4.00 0.00 2.13 1.98 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 2.34 2.56 0.00 110 L 7.84 4.26 0.00 1.71 1.68 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.90 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 0.00 112 K 7.85 4.63 0.00 1.70 1.71 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.60 7.81 113 R 8.27 4.09 0.00 1.90 1.92 0.00 3.01 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 114 K 8.39 4.28 0.00 1.77 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 115 I 8.43 4.46 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 1.06 0.00 0.00 116 T 8.35 4.17 4.35 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 1.43 0.00 0.00 117 I 8.49 4.59 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 1.08 0.00 0.00 118 V 9.07 4.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.91 0.00 0.00 119 K 8.53 4.65 0.00 1.59 1.46 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.55 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.10 1.13 7.81 120 V 8.73 4.09 2.05 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 0.97 0.00 0.00 0.91 0.00 0.00 121 D 8.66 4.81 0.00 2.82 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 0.00 122 W 8.57 4.39 0.00 3.42 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 M 7.54 3.25 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 124 M 7.39 4.02 0.00 1.46 1.39 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.39 0.00 *132 S 7.71 4.28 0.00 3.99 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 0.00 133 S 7.96 4.57 0.00 3.95 3.82 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 0.00 0.00 0.00 0.00 134 T 8.47 3.97 4.25 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 1.22 0.00 0.00 135 R 8.39 4.04 0.00 1.80 1.88 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 136 I 8.06 4.41 1.92 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 1.45 0.82 0.99 0.00 0.00 137 K 8.61 4.19 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.41 7.81 138 R 7.75 4.53 0.00 1.62 1.62 0.00 3.83 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 139 G 8.47 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 0.00 0.00 0.00 140 E 8.23 4.56 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 141 I 9.03 4.02 1.89 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 1.50 0.59 0.95 0.00 0.00 142 D 7.15 4.69 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.