NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3149 8.3349 115.4117 56.8568 65.0069 173.9602 -1 N 4.0649 8.4089 116.7723 53.4960 36.7606 175.0429 0 A 4.3033 7.5148 121.3249 51.9252 18.7833 179.6375 0 T 4.3333 7.4248 111.1248 61.2252 69.4833 176.5375 3 T 4.6260 7.5329 119.5019 62.0593 70.0517 174.1998 4 D 4.4188 8.5356 125.9997 53.7072 41.9878 176.4604 5 K 3.9067 8.5847 128.8025 59.5224 32.2892 178.2804 6 Q 3.8703 7.9439 119.2355 59.5597 29.1512 177.9441 7 T 3.8570 8.0557 116.9952 66.8509 68.5378 176.5790 8 S 4.2575 8.0126 115.2667 60.8033 63.2229 176.4542 9 I 3.6247 8.1487 124.0663 64.4710 36.9108 177.8152 10 N 4.2679 8.3832 117.4484 56.3780 38.1722 177.2305 11 L 3.9331 7.8092 120.0535 57.9627 42.3457 178.4972 12 A 4.1418 7.9909 120.7060 55.3447 18.3571 179.6764 13 L 3.9752 8.1354 117.8025 57.8247 41.4336 179.8787 14 S 4.3217 8.0042 113.6333 61.2506 62.9138 176.0388 15 T 4.3466 7.5476 111.7483 63.1195 68.9271 174.7225 16 I 4.5844 7.6742 118.9137 60.2961 39.6901 174.8513 17 N 4.6274 8.1540 115.5308 54.0785 38.4536 175.7845 18 G 3.7701 7.8556 108.5777 44.9530 0.0000 172.6747 19 K 3.8603 8.3410 121.7815 57.6442 32.7216 177.1485 20 W 4.0628 8.5457 124.3449 57.6564 27.9477 176.7459 21 K 4.0920 7.9198 117.1144 59.2500 31.4552 178.6069 22 L 4.1320 7.8401 119.1138 58.2735 42.4186 178.6736 23 S 4.4271 8.1240 114.5801 61.5471 62.7968 176.8527 24 L 3.8831 8.3105 118.4786 56.0153 41.1399 178.6746 *26 D 4.8226 8.0098 120.9295 54.6734 42.8174 177.8529 27 E 4.1229 8.3483 117.3229 59.5129 29.7925 179.1808 28 L 4.3074 8.2380 119.0596 57.4846 41.4263 179.1674 29 F 3.9618 8.1843 119.9829 61.1386 39.3401 176.7369 30 Q 4.1372 7.8817 114.9995 56.4476 28.5295 176.1599 31 G 4.2988 6.7389 109.0360 43.6808 0.0000 171.9375 32 T 4.2203 7.9868 114.8919 62.9651 67.8065 173.1427 33 K 4.9653 9.1422 125.9390 54.9498 36.9964 175.8931 34 R 4.9319 9.0981 122.4459 54.8165 32.1332 177.0402 35 N 4.2328 9.3375 119.8376 57.0298 38.9900 176.4486 36 G 3.7725 8.1780 105.0448 48.6247 0.0000 174.3041 37 E 4.1149 8.3937 119.4939 59.4084 29.7401 180.2268 38 L 4.3065 7.6825 117.1180 55.0711 40.9914 179.5238 *40 R 4.1700 8.2008 118.5002 56.3212 31.8224 177.2475 41 A 4.0172 8.3174 119.4801 54.1893 18.2732 177.0992 42 L 4.5079 7.6946 116.8745 52.8030 41.2431 174.8666 43 D 4.5102 8.5253 123.7521 55.8148 41.3001 176.4675 44 G 4.0541 8.9962 115.3877 45.0396 0.0000 172.6323 45 I 3.4842 6.6204 120.0453 60.3315 38.5528 175.9824 46 T 4.3684 7.8512 117.5605 60.5571 71.7791 175.6704 47 Q 3.8230 8.3703 122.2807 59.1456 29.1516 178.5868 48 R 3.8203 7.8076 119.3736 59.3403 30.2231 178.4650 49 V 3.5474 7.3960 118.1391 65.8234 31.5056 177.3949 50 L 3.7444 7.9216 120.5119 58.5457 41.8087 179.0944 51 T 3.7761 7.9364 109.4860 64.6587 68.6013 175.5380 52 D 4.3033 7.9292 120.5175 57.2752 41.0152 178.3728 53 R 3.9393 7.8170 116.8882 59.6206 30.2441 178.8788 54 L 4.0605 7.7368 116.9508 57.4334 41.7506 179.3704 55 R 4.1212 8.2941 119.2065 59.3903 30.0405 179.0906 56 E 4.1844 7.9503 114.5275 57.2685 29.0280 178.2865 *58 E 4.7818 8.0397 121.5998 56.3238 31.5000 177.6647 59 K 3.9114 8.2262 118.6108 59.6901 32.1735 177.5224 60 D 4.4281 8.0754 116.1605 55.5724 40.8972 177.2741 61 G 3.9792 8.0205 107.1951 45.4619 0.0000 174.0722 62 L 4.5172 7.9399 120.9675 54.8813 44.0485 176.5521 63 V 4.8467 7.7165 118.1571 61.1784 34.9476 173.6512 64 H 5.0905 9.3926 127.8428 54.5878 31.9481 173.1856 65 R 4.7141 8.3327 125.6724 54.5001 31.8955 174.1730 66 E 4.4575 8.7588 127.9200 54.3109 32.1772 174.2451 67 S 5.0418 8.4167 121.5994 56.9532 64.2211 172.7659 68 F 4.5737 9.5373 126.7229 55.2953 40.6057 176.6560 69 N 4.9421 8.5382 123.4589 52.8780 36.4654 172.9884 70 E 4.6503 7.6654 118.9723 54.6872 32.6958 176.5018 71 L 4.5521 8.0835 119.3325 52.6565 41.7318 174.8055 72 P 4.7107 0.0000 0.0000 60.5533 32.9367 174.5904 73 P 4.6652 0.0000 0.0000 63.0941 32.0515 176.0289 74 R 4.6564 8.7288 121.7218 54.5192 33.3988 174.0585 75 V 4.8372 8.5466 125.4572 61.2041 33.7548 174.1317 76 E 4.8924 9.3698 127.9295 54.8246 32.4584 174.5152 77 Y 5.2710 9.1695 122.9108 56.9029 40.2434 174.9682 78 T 5.0909 8.8253 112.7842 59.8258 73.2158 172.7317 79 L 4.7406 8.2391 121.9047 54.4131 42.5741 177.3811 80 T 4.2456 8.6503 113.8501 60.7132 70.3075 173.6651 81 P 4.4479 0.0000 0.0000 66.2065 31.2098 178.8432 82 E 4.1767 8.3598 116.7020 58.9807 29.3228 179.4766 83 G 3.6043 8.2496 106.1460 48.1535 0.0000 175.3075 84 Y 4.3018 8.3734 120.0443 60.6568 37.8773 178.7200 85 A 4.1335 8.4392 121.7538 55.1598 18.4264 179.5062 86 L 3.9388 8.2901 118.9901 58.1778 42.1486 178.1906 87 Y 3.9531 8.2733 119.7561 61.0720 38.6444 178.2084 88 D 4.3663 8.4547 119.2402 57.2807 41.0541 178.6314 89 A 3.9816 8.0137 121.2814 55.2485 18.3449 179.7514 90 L 3.9135 8.1904 117.8583 57.9374 41.5317 179.9530 91 S 3.9579 7.9246 115.2490 61.4132 62.5820 176.8548 92 S 4.1513 8.0449 117.9406 61.6138 62.5486 176.7399 93 L 4.0251 7.7651 121.1544 57.8605 41.3799 178.9829 94 C 4.0609 8.4103 119.0427 62.8510 31.4591 175.1974 95 H 4.1302 8.5530 119.9272 58.8958 29.4135 176.7129 96 W 4.0599 8.6089 130.5865 60.7649 30.5234 178.2683 97 G 3.8311 8.8784 105.7518 47.5232 0.0000 175.3562 98 E 3.9078 8.3386 121.6146 59.5210 29.7384 178.9175 99 T 3.7179 7.7259 115.7215 66.5470 68.5426 176.2793 100 F 3.8155 7.8088 122.1990 61.2737 39.3388 176.9971 101 A 3.8133 8.1387 120.3291 55.2044 18.1280 179.6748 102 Q 3.8732 7.9464 116.6261 58.6876 28.7593 178.6596 103 K 3.8075 7.8511 120.7574 59.4061 32.0771 178.9682 104 K 3.7364 7.6646 118.4135 59.2824 31.6798 179.2084 105 A 3.9045 7.5729 119.8911 55.1452 18.3928 179.3455 106 R 3.9287 7.7734 116.0298 59.1049 30.2952 177.8847 107 L 4.3461 7.6756 115.6283 55.0773 42.1299 176.7535 108 N 4.5807 7.6978 122.5808 53.7621 39.0756 174.0650 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 -2 S 8.33 4.31 0.00 3.99 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 -1 N 8.41 4.06 0.00 2.97 2.95 0.00 0.00 6.90 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 7.51 4.30 1.24 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 0.00 0.00 0 T 7.42 4.33 4.24 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 1.21 0.00 0.00 3 T 7.53 4.63 4.23 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 1.20 0.00 0.00 4 D 8.54 4.42 0.00 2.77 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 0.00 0.00 0.00 0.00 5 K 8.58 3.91 0.00 1.83 1.76 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.46 7.81 6 Q 7.94 3.87 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 7 T 8.06 3.86 4.23 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 1.20 0.00 0.00 8 S 8.01 4.26 0.00 4.08 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 9 I 8.15 3.62 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.87 0.00 0.00 10 N 8.38 4.27 0.00 2.92 2.86 0.00 0.00 6.75 6.54 0.00 0.00 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 L 7.81 3.93 0.00 1.86 1.69 0.92 0.87 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 12 A 7.99 4.14 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 13 L 8.14 3.98 0.00 1.82 1.71 0.89 0.67 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 14 S 8.00 4.32 0.00 4.04 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 0.00 15 T 7.55 4.35 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 1.26 0.00 0.00 16 I 7.67 4.58 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 1.36 0.83 0.97 0.00 0.00 17 N 8.15 4.63 0.00 2.83 2.96 0.00 0.00 6.07 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 18 G 7.86 3.77 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 0.00 0.00 0.00 19 K 8.34 3.86 0.00 1.69 1.82 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.19 7.81 20 W 8.55 4.06 0.00 3.65 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 21 K 7.92 4.09 0.00 2.03 1.91 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.60 7.81 22 L 7.84 4.13 0.00 1.61 1.69 0.88 0.88 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 23 S 8.12 4.43 0.00 4.33 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 24 L 8.31 3.88 0.00 2.04 1.72 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *26 D 8.01 4.82 0.00 3.04 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 27 E 8.35 4.12 0.00 2.17 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 2.60 2.53 0.00 28 L 8.24 4.31 0.00 1.68 1.69 0.94 0.93 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 29 F 8.18 3.96 0.00 2.46 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 30 Q 7.88 4.14 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 31 G 6.74 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 0.00 0.00 0.00 0.00 32 T 7.99 4.22 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 1.22 0.00 0.00 33 K 9.14 4.97 0.00 1.75 1.67 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.58 7.81 34 R 9.10 4.93 0.00 1.79 1.88 0.00 3.14 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 35 N 9.34 4.23 0.00 2.85 2.94 0.00 0.00 6.97 7.98 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 36 G 8.18 3.77 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 0.00 0.00 0.00 37 E 8.39 4.11 0.00 2.16 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 2.41 2.36 0.00 38 L 7.68 4.31 0.00 1.81 1.57 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 8.20 4.17 0.00 2.02 2.02 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 41 A 8.32 4.02 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 42 L 7.69 4.51 0.00 1.55 1.42 0.88 1.13 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 43 D 8.53 4.51 0.00 2.71 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 44 G 9.00 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 0.00 0.00 0.00 45 I 6.62 3.48 0.56 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.51 0.00 0.00 46 T 7.85 4.37 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 1.19 0.00 0.00 47 Q 8.37 3.82 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 48 R 7.81 3.82 0.00 1.89 1.88 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 49 V 7.40 3.55 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 50 L 7.92 3.74 0.00 1.62 1.66 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.94 3.78 4.23 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 1.31 0.00 0.00 52 D 7.93 4.30 0.00 2.94 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 53 R 7.82 3.94 0.00 2.04 1.98 0.00 3.51 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 54 L 7.74 4.06 0.00 1.60 1.56 0.14 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.29 4.12 0.00 2.21 1.93 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 56 E 7.95 4.18 0.00 2.24 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 2.34 2.53 0.00 *58 E 8.04 4.78 0.00 2.17 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 0.00 2.30 2.46 0.00 59 K 8.23 3.91 0.00 1.98 1.95 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 60 D 8.08 4.43 0.00 2.73 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 61 G 8.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.94 4.52 0.00 1.63 1.73 0.94 0.77 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 63 V 7.72 4.85 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 1.17 0.00 0.00 0.95 0.00 0.00 64 H 9.39 5.09 0.00 3.23 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.33 4.71 0.00 1.85 1.77 0.00 3.30 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.00 66 E 8.76 4.46 0.00 2.01 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 1.47 1.93 0.00 67 S 8.42 5.04 0.00 3.83 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.54 4.57 0.00 3.08 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 69 N 8.54 4.94 0.00 2.72 2.81 0.00 0.00 7.01 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 70 E 7.67 4.65 0.00 2.09 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 2.25 2.39 0.00 71 L 8.08 4.55 0.00 1.57 1.59 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.71 0.00 2.18 2.06 0.00 3.77 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 1.96 1.98 0.00 73 P 0.00 4.67 0.00 1.97 2.14 0.00 3.63 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 2.04 2.11 0.00 74 R 8.73 4.66 0.00 1.81 1.71 0.00 2.99 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 75 V 8.55 4.84 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 0.52 0.00 0.00 0.91 0.00 0.00 76 E 9.37 4.89 0.00 2.11 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 2.26 2.36 0.00 77 Y 9.17 5.27 0.00 2.97 2.86 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 78 T 8.83 5.09 4.32 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 1.29 0.00 0.00 79 L 8.24 4.74 0.00 0.46 1.09 0.48 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.65 4.25 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 1.34 0.00 0.00 81 P 0.00 4.45 0.00 2.24 2.23 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 82 E 8.36 4.18 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 83 G 8.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.37 4.30 0.00 3.25 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 85 A 8.44 4.13 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 0.00 0.00 0.00 0.00 0.00 86 L 8.29 3.94 0.00 1.91 1.86 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.27 3.95 0.00 3.22 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 88 D 8.45 4.37 0.00 3.04 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 89 A 8.01 3.98 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 90 L 8.19 3.91 0.00 1.60 1.58 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.92 3.96 0.00 3.82 3.77 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 92 S 8.04 4.15 0.00 4.05 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 93 L 7.77 4.03 0.00 1.90 1.72 0.87 0.52 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 94 C 8.41 4.06 0.00 2.97 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.55 4.13 0.00 3.40 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 W 8.61 4.06 0.00 3.59 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 97 G 8.88 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 98 E 8.34 3.91 0.00 2.17 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 0.00 2.26 2.32 0.00 99 T 7.73 3.72 4.07 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 1.06 0.00 0.00 100 F 7.81 3.82 0.00 1.84 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 0.00 101 A 8.14 3.81 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 0.00 102 Q 7.95 3.87 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 103 K 7.85 3.81 0.00 1.69 1.73 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.40 7.81 104 K 7.66 3.74 0.00 1.72 1.64 0.00 0.92 0.00 0.00 1.33 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 0.63 7.81 105 A 7.57 3.90 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 0.00 106 R 7.77 3.93 0.00 1.93 2.05 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 107 L 7.68 4.35 0.00 1.60 1.64 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 108 N 7.70 4.58 0.00 2.61 2.74 0.00 0.00 6.97 8.08 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 * Residues marked with a * may have inaccurate shift predictions.