NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.4853 8.0093 121.4068 61.3501 37.0861 174.1354 4 E 4.6637 9.2294 123.2535 54.0470 33.2013 174.9007 5 I 5.2868 8.0606 121.7969 59.0264 40.1372 176.1600 6 R 4.5711 8.2970 121.1355 55.1241 32.4672 173.9087 7 K 4.6734 8.6652 119.5146 56.2006 32.5751 177.4344 8 L 4.5033 8.2521 124.5754 55.2054 42.5638 176.2916 9 S 4.7121 8.8903 114.2238 55.5639 66.7168 175.0276 10 I 3.6804 8.4117 121.0038 64.8039 36.3698 178.1489 11 E 3.9970 7.4538 118.4597 59.4481 29.6036 178.2999 12 D 4.7085 8.2583 116.8754 54.3438 40.9804 177.7818 13 L 3.8577 7.7094 122.2378 58.7164 41.9967 178.7644 14 E 3.9711 8.1181 117.7738 59.6036 29.4751 179.5307 15 T 3.9054 7.8257 109.3922 64.5934 69.0394 176.1498 16 L 3.8908 8.3338 123.7445 58.1235 41.9403 179.1284 17 I 3.6803 7.9930 119.6586 64.3400 36.9227 178.3346 18 E 3.9632 8.3046 119.5828 59.4252 29.3114 179.5283 19 V 3.5578 8.3038 118.5237 65.8284 31.5555 178.0129 20 A 3.7525 8.1295 120.6679 54.9218 18.0653 179.3948 21 R 3.8815 8.1453 117.6028 59.8062 30.1592 178.5387 22 E 4.1114 8.9557 118.8865 59.4916 29.5047 179.5641 23 S 4.2248 8.2043 114.3480 61.2700 63.0002 176.6200 24 W 4.1952 8.3776 122.6289 59.5356 28.6417 178.7302 25 K 4.2993 8.6322 117.8609 59.0272 31.4976 179.0279 26 W 4.1636 8.3292 128.1385 61.0054 30.9050 178.1553 27 T 4.0424 8.3316 114.2715 65.6985 68.0831 174.6632 28 Y 4.5761 7.9170 117.1737 57.3945 39.5292 177.3782 29 A 4.0417 8.5462 125.2392 54.9197 18.4723 179.9630 30 G 4.1030 7.9253 101.6792 45.5318 0.0000 173.6742 31 I 4.1192 7.2903 118.8592 62.6299 38.7802 176.1402 32 Y 4.7744 7.5278 118.0765 57.2840 39.1093 176.3527 33 S 4.5115 8.4605 116.7558 58.1042 65.4564 174.8827 34 E 4.0098 8.7796 123.3767 59.6239 29.4270 179.0351 35 E 4.0022 8.2067 118.1874 59.6225 29.6466 178.5406 36 Y 4.0091 8.5922 119.9727 60.4893 38.7485 178.1110 37 I 3.7076 8.1792 120.9709 64.6149 37.3434 178.3387 38 E 3.9650 8.1668 119.2822 59.3756 29.3372 179.4322 39 S 4.0057 8.1750 113.4071 61.0059 62.3220 176.0500 40 W 3.7325 7.8989 131.1447 60.0080 30.3588 178.2545 41 I 3.7338 7.8945 120.0498 64.4306 36.3913 178.2724 42 R 3.8540 7.6655 117.4879 59.4662 29.9611 178.4066 43 E 3.7491 7.4816 117.1574 58.9818 29.7993 178.5060 44 K 3.6880 7.2527 116.5586 56.6542 33.2342 176.4299 45 Y 4.7213 7.8525 116.9150 56.5431 38.6437 176.4337 46 S 4.3658 7.5280 115.1566 57.8054 65.8657 174.3938 47 K 3.8750 8.5842 123.0525 59.8448 31.9772 179.1516 48 E 3.9207 8.1399 118.0478 59.6515 29.5086 179.6292 49 K 3.9987 7.6571 117.2464 59.2677 32.1243 179.5779 50 L 4.0826 8.2719 119.6777 57.7352 41.4848 179.4615 51 L 3.9781 8.3493 119.3313 57.9497 41.7318 178.9549 52 N 4.2546 8.0282 116.4655 56.8861 38.8816 176.7511 53 E 4.0107 8.2272 119.6695 59.3258 29.5741 179.0717 54 I 3.8555 8.3530 120.3196 64.6185 37.2791 178.6070 55 V 3.6140 8.1129 119.0960 66.1388 31.3562 178.2780 56 R 3.9570 7.9416 117.3821 59.1108 29.7780 179.0576 57 S 4.8222 7.9961 113.9207 61.3433 62.3269 176.0402 58 Q 4.0417 8.1895 119.5892 58.7682 28.4124 178.5628 59 S 4.6357 7.6667 113.5340 57.1065 63.4031 173.5807 60 N 4.3345 8.1819 117.8313 54.4267 37.4516 175.3182 61 L 4.7210 7.8734 124.8140 55.2584 40.3958 177.5563 62 D 4.9852 8.7333 128.1903 54.5758 40.5978 175.2054 63 I 5.1353 7.5907 119.2152 59.7879 41.9299 173.6945 64 L 4.9666 9.1879 127.6764 53.3507 45.0730 174.9724 65 F 5.3508 8.9564 127.8509 56.7724 41.9920 172.4108 66 L 5.1736 9.3018 126.3737 52.8860 44.1756 176.2565 67 G 4.4845 9.4875 110.2186 44.6018 0.0000 172.1276 68 A 5.1177 8.6884 123.0716 50.0244 21.3760 175.4584 69 F 5.1922 9.6256 122.1484 55.8413 42.1046 174.9685 70 A 4.7647 8.8250 124.9986 50.0172 21.4449 175.8975 71 D 4.4337 9.5378 123.8074 56.5036 38.4811 174.5070 72 S 3.9565 8.3574 107.9988 59.7992 60.7557 171.7946 73 T 4.6140 7.7264 117.3876 61.3287 70.0756 173.7513 74 L 3.8174 8.5059 129.0722 54.8243 42.6134 176.1941 75 I 4.3778 8.1325 117.1668 59.4404 38.9909 174.6502 76 G 4.1113 7.2398 108.1589 46.5687 0.0000 171.9196 77 F 5.4252 7.5253 113.6892 56.0041 41.7117 172.7638 78 I 5.2231 8.9739 119.7636 59.4840 41.7512 173.8074 79 E 5.2650 9.4431 128.1344 54.8462 33.0616 173.9544 80 L 5.3725 9.6062 126.5860 52.8492 46.5378 175.0409 81 K 4.9767 8.7680 122.5613 54.8809 34.3338 174.8808 82 I 4.9237 8.6120 128.4067 59.5809 39.8346 175.3398 83 I 4.3763 8.5782 126.9727 59.9024 40.3180 176.9536 84 A 3.8065 8.4714 130.9077 53.5028 17.9766 178.6226 85 N 4.5861 9.0007 120.5524 56.5414 38.9661 173.9687 86 K 5.2429 8.3602 117.8810 54.5630 36.4203 174.7527 87 A 5.2091 8.4956 121.8020 50.6045 23.2834 174.8525 88 E 5.1124 9.1911 121.1654 54.2473 32.9575 174.4038 89 L 4.4640 9.0113 130.3850 54.9811 42.1208 176.1239 90 L 4.4840 8.9062 128.2823 56.6541 41.5891 177.1977 91 R 4.8383 7.7782 113.5734 54.2433 33.4704 174.0834 92 L 5.3304 7.8389 119.5400 54.9573 41.8912 174.2707 93 Y 4.2097 7.6027 123.2752 57.1889 40.7611 174.4635 94 L 4.3818 6.8278 126.9570 52.4284 45.2003 175.9609 95 K 3.4965 8.3698 126.0454 56.2374 32.5701 176.1093 96 P 3.9183 0.0000 0.0000 64.9803 31.5354 178.1052 97 E 3.7215 8.0461 116.1132 59.4665 29.2408 177.3526 98 Y 4.4681 8.0695 114.4202 58.0910 38.0769 177.5794 99 T 3.7892 7.7289 120.2375 66.7674 68.5785 176.2274 100 H 4.4143 8.1931 115.0540 57.3311 29.0373 175.4397 101 K 4.1951 7.2897 122.0226 56.6567 33.0984 177.8414 102 K 4.5266 8.3186 121.9834 57.2598 31.6989 174.5318 103 I 3.9168 7.6631 122.9982 65.4144 37.0939 178.4421 104 G 3.5057 7.9823 106.1387 47.6959 0.0000 175.5509 105 K 4.2047 8.1060 121.5753 59.3149 32.2914 179.0813 106 T 3.9053 8.5541 116.8660 66.5670 68.4224 176.6575 107 L 4.0528 8.5259 121.2572 57.8362 41.6725 179.4331 108 L 4.1175 8.0375 120.0895 57.9806 41.9393 178.8399 109 L 4.0482 7.9728 120.4852 58.1990 42.1778 178.7977 110 E 3.9661 8.4472 118.4099 59.2516 29.1485 179.0257 111 A 4.0729 8.0181 120.0257 55.3204 18.4956 179.2758 112 E 3.8705 8.0579 115.9504 59.2794 29.9505 178.8076 113 K 3.9522 8.2393 119.9183 60.0046 32.0804 178.9532 114 I 3.6199 7.4596 114.8152 62.2853 36.7152 177.6766 *116 K 3.9108 7.8882 122.2945 56.3863 33.5395 177.2967 117 K 3.7573 7.6243 117.8491 59.5519 32.0305 177.7868 118 K 3.8264 8.2050 119.3650 58.2257 32.1472 177.6015 119 G 4.0165 8.0137 106.2592 45.2072 0.0000 173.3747 120 I 3.9590 7.4617 120.5684 61.4223 36.8624 175.9534 121 L 4.4815 9.0677 125.4576 55.5287 42.6872 176.0486 122 E 4.8659 7.6171 117.4432 55.6187 33.1528 173.7985 123 C 5.1792 8.6781 125.1204 57.7871 35.0572 173.0102 124 R 5.1108 8.8190 124.3191 54.3873 33.8423 174.3157 125 L 4.6525 7.7354 117.4971 55.7390 42.3236 173.0277 126 Y 4.9612 8.9078 117.9709 56.6484 40.4939 175.4056 127 V 4.6144 8.6049 121.7102 61.3093 35.6117 174.0418 128 H 4.8199 9.0824 127.1710 55.7284 30.4814 176.1487 129 R 3.8190 8.0622 124.3869 58.8608 29.9842 177.2993 130 Q 4.4574 8.2549 114.2022 56.1624 29.4875 176.5384 131 N 4.7462 7.9721 118.9121 51.5819 36.3814 174.6606 132 S 4.1945 8.2120 121.3579 61.5685 63.3408 175.9673 133 V 3.7908 8.0342 119.8381 66.1182 31.2781 178.1106 134 G 3.8306 8.9746 105.5433 47.8592 0.0000 174.9701 135 F 4.1133 8.6409 124.1811 61.3036 39.2747 177.4863 136 S 4.2604 9.2026 115.0957 61.4977 62.6745 176.5405 137 F 3.8430 8.8609 124.2170 61.5993 39.1644 176.8951 138 Y 3.9693 8.2161 116.6222 60.5827 37.4342 177.4692 *139 Y 4.0079 7.9829 122.4714 59.9368 38.4640 177.9010 140 K 4.1496 7.9933 117.8952 57.8803 32.2818 177.2380 141 N 4.8642 7.3122 114.0639 53.2290 39.2601 175.4535 142 G 3.8675 7.8888 107.9103 45.1089 0.0000 173.7630 143 F 4.5041 9.0735 120.1775 56.5969 40.0686 174.7463 144 K 4.5607 8.0838 123.4369 54.2251 33.9446 176.5488 145 V 3.8028 8.3957 124.7743 63.6841 31.2368 175.0423 146 E 4.5290 9.3745 128.3081 57.5893 31.1415 175.4165 147 D 4.7687 7.8363 117.3102 53.5804 45.3727 174.4900 148 T 4.7412 8.4499 111.2405 59.7064 69.1770 172.3773 149 D 4.5872 8.7542 128.7564 53.9095 41.9403 179.0652 150 G 3.8178 9.1996 120.9091 46.4378 0.0000 172.2956 151 S 4.6034 9.1585 115.1341 57.7696 64.1664 172.1293 152 D 5.3075 8.0264 117.3441 52.4377 44.9863 174.5616 153 F 5.1462 9.2269 119.6401 56.4187 41.3659 175.9013 154 I 4.3731 9.1557 124.8112 59.9240 39.9153 174.3403 *156 E 4.3236 8.3625 120.6263 56.5801 31.5850 175.1402 157 K 3.8778 7.9344 121.2426 55.1093 34.5467 175.5457 158 K 4.4826 8.1505 127.0781 56.1993 33.4766 177.0138 159 Y 4.3449 7.8121 117.3217 58.3216 38.3317 175.8072 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 3 I 8.01 4.49 1.88 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 1.40 1.09 0.90 0.00 0.00 4 E 9.23 4.66 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 5 I 8.06 5.29 1.92 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 1.06 2.04 0.98 0.00 0.00 6 R 8.30 4.57 0.00 1.82 1.99 0.00 2.84 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 7 K 8.67 4.67 0.00 1.69 1.82 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.52 7.81 8 L 8.25 4.50 0.00 1.15 1.33 -0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.89 4.71 0.00 3.91 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 10 I 8.41 3.68 1.86 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 1.63 1.09 0.90 0.00 0.00 11 E 7.45 4.00 0.00 1.85 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 2.32 2.40 0.00 12 D 8.26 4.71 0.00 2.71 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 13 L 7.71 3.86 0.00 1.88 1.69 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.12 3.97 0.00 2.02 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 2.40 2.32 0.00 15 T 7.83 3.91 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 1.25 0.00 0.00 16 L 8.33 3.89 0.00 1.65 1.87 0.34 0.74 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 17 I 7.99 3.68 2.01 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 1.57 0.75 0.92 0.00 0.00 18 E 8.30 3.96 0.00 2.13 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 2.35 2.48 0.00 19 V 8.30 3.56 2.33 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 1.20 0.00 0.00 1.00 0.00 0.00 20 A 8.13 3.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.15 3.88 0.00 1.88 2.15 0.00 3.35 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 22 E 8.96 4.11 0.00 2.29 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 0.00 2.43 2.40 0.00 23 S 8.20 4.22 0.00 3.80 3.47 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 0.00 24 W 8.38 4.20 0.00 3.60 3.56 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 25 K 8.63 4.30 0.00 1.90 2.03 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.77 7.81 26 W 8.33 4.16 0.00 3.60 3.49 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 27 T 8.33 4.04 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 0.43 0.00 0.00 28 Y 7.92 4.58 0.00 3.32 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 29 A 8.55 4.04 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 30 G 7.93 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 31 I 7.29 4.12 1.84 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.54 0.00 0.00 32 Y 7.53 4.77 0.00 3.17 2.89 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 33 S 8.46 4.51 0.00 4.12 4.06 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 34 E 8.78 4.01 0.00 2.12 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 0.00 2.43 2.48 0.00 35 E 8.21 4.00 0.00 2.17 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 2.44 2.46 0.00 36 Y 8.59 4.01 0.00 2.92 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 37 I 8.18 3.71 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.82 1.09 0.00 0.00 38 E 8.17 3.97 0.00 2.01 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 2.54 2.49 0.00 39 S 8.17 4.01 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 7.90 3.73 0.00 2.93 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 41 I 7.89 3.73 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.20 0.93 0.00 0.00 42 R 7.67 3.85 0.00 1.90 1.92 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 43 E 7.48 3.75 0.00 1.75 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 1.73 2.02 0.00 44 K 7.25 3.69 0.00 0.79 0.74 0.00 1.29 0.00 0.00 1.16 0.00 0.00 3.06 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.81 0.28 7.81 45 Y 7.85 4.72 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 46 S 7.53 4.37 0.00 4.17 4.06 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 47 K 8.58 3.87 0.00 1.80 1.91 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.38 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 48 E 8.14 3.92 0.00 2.00 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 2.37 2.45 0.00 49 K 7.66 4.00 0.00 1.76 1.77 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.38 7.81 50 L 8.27 4.08 0.00 1.71 1.80 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.35 3.98 0.00 1.72 1.72 0.96 0.51 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 52 N 8.03 4.25 0.00 2.86 2.95 0.00 0.00 7.30 6.96 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 53 E 8.23 4.01 0.00 2.37 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 2.23 2.41 0.00 54 I 8.35 3.86 1.91 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 0.87 0.95 0.00 0.00 55 V 8.11 3.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 56 R 7.94 3.96 0.00 1.96 2.09 0.00 3.25 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 57 S 8.00 4.82 0.00 4.20 4.26 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 58 Q 8.19 4.04 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 59 S 7.67 4.64 0.00 3.88 3.88 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 60 N 8.18 4.33 0.00 2.83 2.89 0.00 0.00 6.84 7.96 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 61 L 7.87 4.72 0.00 1.68 1.15 0.93 1.00 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 62 D 8.73 4.99 0.00 2.84 2.89 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 63 I 7.59 5.14 1.89 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 1.23 0.92 0.89 0.00 0.00 64 L 9.19 4.97 0.00 1.73 1.54 1.01 0.76 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 65 F 8.96 5.35 0.00 3.05 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 66 L 9.30 5.17 0.00 1.79 1.65 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.49 4.48 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 0.00 68 A 8.69 5.12 1.05 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 0.00 0.00 69 F 9.63 5.19 0.00 3.12 2.97 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 70 A 8.83 4.76 1.15 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 71 D 9.54 4.43 0.00 2.85 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 72 S 8.36 3.96 0.00 4.06 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 73 T 7.73 4.61 4.48 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 1.22 0.00 0.00 74 L 8.51 3.82 0.00 1.34 1.49 0.48 0.98 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 75 I 8.13 4.38 1.21 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.83 0.78 0.00 0.00 76 G 7.24 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 7.53 5.43 0.00 3.31 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 78 I 8.97 5.22 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.79 1.07 0.00 0.00 79 E 9.44 5.26 0.00 1.74 1.64 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 1.90 1.55 0.00 80 L 9.61 5.37 0.00 1.65 1.55 1.03 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.77 4.98 0.00 1.88 1.68 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.46 7.81 82 I 8.61 4.92 1.89 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 1.26 0.82 0.97 0.00 0.00 83 I 8.58 4.38 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 1.25 0.88 0.93 0.00 0.00 84 A 8.47 3.81 1.01 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 0.00 0.00 85 N 9.00 4.59 0.00 2.86 2.88 0.00 0.00 6.61 7.68 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 86 K 8.36 5.24 0.00 1.78 1.70 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 87 A 8.50 5.21 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 88 E 9.19 5.11 0.00 2.09 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 2.30 2.36 0.00 89 L 9.01 4.46 0.00 1.76 1.57 1.05 1.05 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 90 L 8.91 4.48 0.00 1.69 1.68 0.87 0.75 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 91 R 7.78 4.84 0.00 2.12 2.20 0.00 3.48 0.00 0.00 3.55 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 92 L 7.84 5.33 0.00 1.74 1.70 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.60 4.21 0.00 2.89 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 0.00 0.00 0.00 94 L 6.83 4.38 0.00 1.19 1.03 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.37 3.50 0.00 1.84 1.93 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.47 7.81 96 P 0.00 3.92 0.00 1.68 1.52 0.00 3.44 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.05 0.00 97 E 8.05 3.72 0.00 1.16 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 2.07 2.24 0.00 98 Y 8.07 4.47 0.00 2.90 2.83 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 99 T 7.73 3.79 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 1.12 0.00 0.00 100 H 8.19 4.41 0.00 3.26 3.38 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.29 4.20 0.00 1.92 1.81 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.04 7.81 102 K 8.32 4.53 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.08 7.81 103 I 7.66 3.92 1.80 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 1.52 0.44 0.77 0.00 0.00 104 G 7.98 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.11 4.20 0.00 1.89 2.06 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.60 7.81 106 T 8.55 3.91 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 1.23 0.00 0.00 107 L 8.53 4.05 0.00 1.81 1.80 0.89 0.55 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.35 1.36 7.81 117 K 7.62 3.76 0.00 1.84 2.09 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 118 K 8.20 3.83 0.00 1.84 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 119 G 8.01 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 0.00 120 I 7.46 3.96 1.83 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 1.44 0.47 1.09 0.00 0.00 121 L 9.07 4.48 0.00 1.58 1.72 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.62 4.87 0.00 1.96 1.72 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 2.09 2.09 0.00 123 C 8.68 5.18 0.00 3.24 2.72 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 0.00 124 R 8.82 5.11 0.00 1.67 1.61 0.00 3.10 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 134 G 8.97 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 0.00 135 F 8.64 4.11 0.00 3.36 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 0.00 136 S 9.20 4.26 0.00 4.22 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 0.00 137 F 8.86 3.84 0.00 2.89 2.72 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 0.00 138 Y 8.22 3.97 0.00 2.75 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 *139 Y 7.98 4.01 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.15 0.00 1.81 1.63 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 141 N 7.31 4.86 0.00 2.58 2.74 0.00 0.00 7.14 7.53 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 0.00 142 G 7.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.07 4.50 0.00 2.94 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 0.00 144 K 8.08 4.56 0.00 1.70 1.69 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.25 7.81 145 V 8.40 3.80 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 0.89 0.00 0.00 0.79 0.00 0.00 146 E 9.37 4.53 0.00 1.80 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 2.37 2.47 0.00 147 D 7.84 4.77 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.45 4.74 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 1.56 0.00 0.00 149 D 8.75 4.59 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 9.20 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 0.00 0.00 0.00 151 S 9.16 4.60 0.00 3.84 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 0.00 152 D 8.03 5.31 0.00 2.97 2.65 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 0.00 0.00 0.00 153 F 9.23 5.15 0.00 3.18 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 0.00 154 I 9.16 4.37 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.64 0.00 0.00 *156 E 8.36 4.32 0.00 2.03 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 2.15 2.16 0.00 157 K 7.93 3.88 0.00 0.79 0.74 0.00 1.10 0.00 0.00 0.62 0.00 0.00 2.58 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.91 0.88 7.81 158 K 8.15 4.48 0.00 1.49 1.60 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.32 7.81 159 Y 7.81 4.34 0.00 2.87 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.