NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 E 4.3524 8.4444 116.7535 55.4422 31.8302 175.4341 2 E 4.5214 8.0388 120.6046 53.5849 32.2740 174.6409 3 F 4.3460 8.0095 121.3867 56.1015 44.4331 171.5762 4 P 4.6800 0.0000 0.0000 63.2113 31.8987 178.2520 5 F 5.2873 9.0997 106.9085 54.9175 41.7538 174.6685 6 A 4.7820 9.1999 120.0275 50.7002 22.7145 175.0702 7 L 5.0504 8.5492 121.3382 53.2359 46.0400 176.1564 8 G 4.1398 9.1824 110.6305 44.7365 0.0000 172.0684 9 V 4.8751 8.3801 118.9695 59.9759 35.4315 174.7695 10 Q 4.8840 9.4099 124.1995 54.8022 33.8632 173.1463 11 T 4.9278 8.2842 109.0005 60.6718 72.2760 174.2045 12 L 4.8669 8.7774 122.9895 52.8830 40.8621 174.8313 13 P 4.2012 0.0000 0.0000 62.7775 32.4933 179.2486 14 Q 4.1841 8.2902 124.7455 56.2976 28.8953 173.3785 15 T 4.2066 8.5117 110.4841 62.2556 70.9478 172.3028 16 C 4.7234 8.2741 126.8341 54.2679 39.0187 172.1359 17 D 4.2733 7.4439 119.7702 53.9167 44.7941 175.0230 18 E 4.8523 7.5194 117.6404 54.1530 33.1722 175.1175 19 P 4.3461 0.0000 0.0000 65.9944 31.6569 178.7335 20 K 3.3128 8.1881 118.1208 59.3263 31.8843 178.7242 21 A 3.9349 7.2737 120.0545 55.6503 18.4889 179.0200 22 H 4.1374 8.0960 112.8205 58.9531 28.7264 177.5393 23 T 4.0570 8.7422 119.1967 65.4478 68.5291 173.8693 24 S 4.9427 7.5483 112.6095 56.7274 66.3587 172.7487 25 F 5.1066 9.5639 119.7959 56.0254 43.8153 173.0440 26 Q 5.0844 8.3933 119.6077 54.6642 32.6674 173.8929 27 I 5.0632 8.9798 124.4289 59.5641 41.7718 174.2871 28 S 5.1678 9.2053 118.7720 56.6494 65.7327 172.7479 29 L 5.3380 8.9717 125.7608 53.2791 45.7689 175.4224 30 S 5.0526 9.4864 116.4905 56.9670 66.6415 173.0180 31 V 4.7153 8.9453 125.0481 60.0251 34.7624 174.6436 32 S 4.6198 9.1502 118.9594 57.1703 64.9294 171.6902 33 Y 5.0612 8.4988 127.4683 56.0663 41.5745 174.3742 34 T 4.5432 8.7832 120.9800 62.1058 72.5035 174.2943 35 G 3.8117 8.1496 113.1939 45.5721 0.0000 173.8790 36 S 4.6253 8.5730 117.5735 57.8884 63.5855 173.6407 37 R 4.5860 7.7326 117.8964 53.6769 31.6960 176.4440 38 S 4.2394 8.7571 116.9319 59.5712 62.4089 173.3662 39 A 4.5893 8.0206 120.9028 51.5922 21.9820 177.1176 40 S 3.3650 8.8701 109.9694 59.5182 61.0040 171.2901 41 N 4.3367 8.3705 127.5785 51.4650 36.6473 172.9351 42 M 4.6231 7.0425 118.4347 55.7641 36.0571 173.8816 43 A 4.7709 8.8854 124.2596 50.0852 22.7264 174.9026 44 I 5.2197 8.4423 122.5535 59.1822 41.2321 174.5742 45 V 4.9891 8.8284 128.0180 60.0510 35.5261 173.9644 46 D 5.4020 9.2460 121.1453 51.7549 42.8469 174.6076 47 V 4.7366 9.0195 121.0732 59.8313 35.3297 174.7239 48 K 4.8264 9.1816 124.0484 55.2504 35.0679 174.8848 49 M 5.0256 8.1588 123.7871 54.0274 35.0329 177.3462 50 V 3.4293 7.3024 112.6809 62.8054 28.2277 177.3782 51 S 4.5542 8.0599 117.6629 58.5466 61.2473 175.6766 52 G 4.2275 7.4858 104.3539 45.9448 0.0000 170.1522 53 F 4.8689 8.0314 118.3794 55.5605 43.2527 174.7775 54 I 4.5704 9.4297 120.2765 59.3123 39.3239 174.0086 55 P 4.9216 0.0000 0.0000 62.2638 32.8176 175.1195 56 L 4.5976 7.8215 119.8145 53.2123 42.8858 178.4007 57 K 4.0190 8.8524 125.2366 58.8714 32.5789 176.8846 58 P 4.3748 0.0000 0.0000 65.7529 31.4355 177.9191 59 T 3.8155 7.9980 112.5758 65.4520 67.0207 175.9980 60 V 3.5056 7.4454 112.6909 64.2375 31.4412 178.3828 61 K 3.8362 8.1688 119.5539 59.7088 32.0472 178.2630 62 M 3.9716 8.1635 118.6009 58.6929 31.9984 178.2407 63 L 4.0080 8.1049 119.5361 57.6347 41.2380 178.9886 64 E 4.1509 8.3393 119.3929 58.8827 29.3557 178.4908 65 R 4.0204 7.5873 117.1750 58.4258 30.1423 177.8131 66 S 4.2955 7.5423 114.5601 60.9354 62.8578 174.0397 67 N 4.7336 8.3145 121.9932 54.3342 40.8664 174.0835 68 H 4.5298 8.2596 109.9810 56.0091 26.6848 174.8490 69 V 4.2203 7.0058 118.1267 61.0575 34.1765 173.5589 70 S 3.4499 8.5501 111.5071 59.2829 59.9273 170.7438 71 R 4.8884 8.7011 125.2993 54.2986 32.8019 175.2782 72 T 5.1010 8.4035 111.8313 60.0147 72.4196 172.3831 73 E 4.9066 9.1688 122.4713 54.4287 33.8109 174.4912 74 V 4.8264 8.2748 123.2074 59.7777 33.9165 175.3606 75 S 4.6135 9.1058 123.4692 58.6463 63.4691 175.9002 76 S 4.2658 8.3535 122.6773 59.8010 61.2110 172.3350 77 N 4.5476 8.0443 114.9574 55.2841 39.1888 174.9211 78 H 5.0919 7.8349 112.0331 53.8962 32.0606 172.5572 79 V 4.9101 8.7958 117.8866 61.1876 35.1346 174.0702 80 L 5.3914 9.5584 125.4375 53.0613 46.2932 175.4982 81 I 4.8803 8.8356 121.3964 59.8286 41.3507 174.2253 82 Y 5.0749 9.1883 127.8981 56.2790 41.6812 173.3671 83 L 5.1936 8.9195 128.2816 53.4093 46.6242 174.7067 84 D 4.9751 8.6146 121.7419 51.2652 41.8300 175.3306 85 K 4.9304 8.0296 132.8426 56.8950 34.4518 175.8317 86 V 4.1725 7.7529 119.5066 61.5593 29.5932 175.2973 87 S 4.7166 8.1721 127.9544 57.9845 63.7855 173.6916 88 N 4.3670 7.9202 115.6493 53.2924 39.0071 172.9858 89 Q 4.5265 7.2479 114.6314 54.4247 33.0928 173.9916 90 T 4.3845 8.1460 114.7713 61.7028 68.4134 172.9303 91 L 5.0859 8.4526 123.3352 54.3259 44.2487 175.2248 92 S 5.2560 8.4245 113.3329 57.4100 66.4394 172.2679 93 L 4.5745 9.4842 120.9421 54.7552 44.1964 174.4434 94 F 5.3565 8.2528 116.4114 56.1539 42.9744 173.9553 95 F 4.9333 9.5214 119.6465 56.5793 43.7940 172.9806 96 T 5.1762 8.4003 112.3749 60.9484 71.0822 172.7393 97 V 4.8675 8.8475 118.6575 59.8345 36.4032 174.2226 98 L 5.3659 8.6799 121.3122 51.9780 46.1984 175.1964 99 Q 4.3711 8.4973 120.1643 55.1828 31.8011 173.1388 100 D 4.7285 8.8672 122.6881 54.6343 46.9193 174.9177 101 V 4.3132 7.4708 117.8597 59.0362 33.1166 173.9391 102 P 4.5250 0.0000 0.0000 62.4622 32.1600 175.3640 103 V 4.4542 7.8271 117.9921 60.9370 34.2960 175.0322 104 R 4.4742 8.1076 118.1201 54.0905 30.1075 173.8382 105 D 4.4692 8.1111 119.3793 53.2177 44.6067 174.9843 106 L 4.7154 8.3265 124.6684 52.9087 43.6614 175.9766 107 K 4.4681 8.0897 121.3143 54.5654 35.9071 173.4714 108 P 4.9650 0.0000 0.0000 61.9552 33.0479 174.7416 109 A 4.9031 8.9399 119.8800 50.4491 22.8196 175.0543 110 I 4.9568 8.7424 118.5544 59.5244 42.2980 174.2088 111 V 4.8106 8.8190 124.8763 61.4742 35.3998 173.8687 112 K 5.0854 9.3802 124.8027 54.7656 37.0770 175.6355 113 V 4.7498 9.1747 122.2380 60.3462 34.7872 173.7729 114 Y 5.0619 9.0388 124.3852 56.1451 42.4825 174.6769 115 D 4.5965 8.8751 116.7807 53.0221 43.3410 172.6312 116 Y 4.3121 9.3302 114.7966 57.0292 39.6681 170.9681 117 Y 2.8177 7.9426 127.8946 57.1551 39.7314 169.2264 118 E 4.2950 12.0000 112.9001 57.9839 29.1010 181.5942 119 T 4.1446 8.5030 123.8728 64.3719 66.4683 171.1702 120 D 4.4665 9.0495 124.6210 53.0396 36.8695 172.9886 121 E 4.9912 7.3814 113.3567 55.5870 31.8116 175.3067 122 F 4.5910 7.7251 117.4046 56.1633 40.3577 172.6792 123 A 4.8717 8.6268 119.7484 50.2283 22.3908 175.0501 124 I 4.9225 8.2566 118.5877 59.4706 41.5587 173.7538 125 A 4.8813 9.0696 128.9318 50.4870 23.2893 173.9678 126 E 5.0034 8.6600 118.2622 55.0299 33.2141 173.4801 127 Y 4.8146 8.7417 124.0838 56.6448 43.0154 172.8693 128 N 5.1596 8.1195 116.3426 51.2232 43.7150 174.2434 129 A 4.1879 8.5779 124.0188 52.0700 18.9258 177.4149 130 P 4.5306 0.0000 0.0000 60.6286 29.8602 176.3436 131 C 4.3993 8.1356 118.7608 57.4673 43.7340 173.2479 132 S 4.1577 8.3436 113.6115 58.6500 62.2509 172.9189 133 K 4.1494 7.7567 125.2360 56.0644 34.3743 173.7013 134 D 4.6693 8.7601 124.7542 52.3865 42.3662 174.9059 135 L 4.8318 8.0516 129.5627 53.1387 43.0646 175.3141 136 G 3.3175 8.2523 110.2414 45.5840 0.0000 172.7587 137 N 4.8225 8.4372 131.8941 53.4755 42.1362 173.4113 138 A 4.3119 8.3373 128.1727 52.2864 19.2741 176.2963 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 E 8.44 4.35 0.00 1.72 1.79 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 2.12 2.36 0.00 2 E 8.04 4.52 0.00 1.95 1.82 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 2.19 2.39 0.00 3 F 8.01 4.35 0.00 2.13 2.35 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 4 P 0.00 4.68 0.00 2.02 1.77 0.00 3.19 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 5 F 9.10 5.29 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 9.20 4.78 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 7 L 8.55 5.05 0.00 1.60 1.50 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.18 4.14 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 0.00 0.00 0.00 9 V 8.38 4.88 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 0.77 0.00 0.00 0.90 0.00 0.00 10 Q 9.41 4.88 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 11 T 8.28 4.93 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 1.24 0.00 0.00 12 L 8.78 4.87 0.00 1.65 1.52 0.93 0.98 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 13 P 0.00 4.20 0.00 2.28 2.24 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 14 Q 8.29 4.18 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 15 T 8.51 4.21 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 16 C 8.27 4.72 0.00 2.99 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 17 D 7.44 4.27 0.00 2.55 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 18 E 7.52 4.85 0.00 2.03 1.80 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 2.28 2.25 0.00 19 P 0.00 4.35 0.00 2.25 2.28 0.00 3.71 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 2.07 2.01 0.00 20 K 8.19 3.31 0.00 2.00 2.13 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 21 A 7.27 3.93 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 22 H 8.10 4.14 0.00 2.94 3.22 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.74 4.06 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 1.21 0.00 0.00 24 S 7.55 4.94 0.00 3.83 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 25 F 9.56 5.11 0.00 2.50 2.39 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 26 Q 8.39 5.08 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 27 I 8.98 5.06 1.78 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 1.06 0.51 0.80 0.00 0.00 28 S 9.21 5.17 0.00 3.81 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 29 L 8.97 5.34 0.00 1.56 1.48 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.49 5.05 0.00 3.81 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 31 V 8.95 4.72 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 0.94 0.00 0.00 32 S 9.15 4.62 0.00 3.88 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 33 Y 8.50 5.06 0.00 2.52 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 0.00 0.00 0.00 0.00 34 T 8.78 4.54 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 1.16 0.00 0.00 35 G 8.15 3.81 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 0.00 0.00 0.00 36 S 8.57 4.63 0.00 3.76 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 37 R 7.73 4.59 0.00 1.85 1.73 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 38 S 8.76 4.24 0.00 3.86 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 39 A 8.02 4.59 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 40 S 8.87 3.37 0.00 3.94 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 41 N 8.37 4.34 0.00 2.80 2.92 0.00 0.00 6.05 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 42 M 7.04 4.62 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 43 A 8.89 4.77 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 44 I 8.44 5.22 1.89 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 1.31 1.99 0.94 0.00 0.00 45 V 8.83 4.99 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 0.85 0.00 0.00 0.93 0.00 0.00 46 D 9.25 5.40 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 47 V 9.02 4.74 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 0.77 0.00 0.00 0.86 0.00 0.00 48 K 9.18 4.83 0.00 1.77 1.65 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.35 7.81 49 M 8.16 5.03 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 50 V 7.30 3.43 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 0.74 0.00 0.00 0.96 0.00 0.00 51 S 8.06 4.55 0.00 4.11 4.12 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 52 G 7.49 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 0.00 0.00 0.00 0.00 53 F 8.03 4.87 0.00 2.27 2.47 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 54 I 9.43 4.57 1.88 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 1.29 0.64 0.92 0.00 0.00 55 P 0.00 4.92 0.00 2.09 2.09 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 56 L 7.82 4.60 0.00 1.80 1.70 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.85 4.02 0.00 1.75 1.83 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 58 P 0.00 4.37 0.00 2.30 2.28 0.00 3.67 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 2.07 2.01 0.00 59 T 8.00 3.82 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 60 V 7.45 3.51 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 0.72 0.00 0.00 0.91 0.00 0.00 61 K 8.17 3.84 0.00 1.94 1.83 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 62 M 8.16 3.97 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 63 L 8.10 4.01 0.00 1.92 1.66 0.82 0.82 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 64 E 8.34 4.15 0.00 2.02 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 2.30 0.00 65 R 7.59 4.02 0.00 1.97 1.94 0.00 3.33 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 66 S 7.54 4.30 0.00 4.15 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 67 N 8.31 4.73 0.00 2.71 2.72 0.00 0.00 7.24 7.89 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 68 H 8.26 4.53 0.00 3.16 3.17 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.01 4.22 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 0.66 0.00 0.00 0.93 0.00 0.00 70 S 8.55 3.45 0.00 3.95 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 71 R 8.70 4.89 0.00 1.89 1.78 0.00 3.10 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 72 T 8.40 5.10 4.46 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 1.20 0.00 0.00 73 E 9.17 4.91 0.00 1.99 1.75 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 2.18 2.22 0.00 74 V 8.27 4.83 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 0.95 0.00 0.00 75 S 9.11 4.61 0.00 3.64 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 76 S 8.35 4.27 0.00 4.03 4.03 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 77 N 8.04 4.55 0.00 2.79 2.91 0.00 0.00 6.80 8.18 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 78 H 7.83 5.09 0.00 3.15 3.30 0.00 5.40 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 79 V 8.80 4.91 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 1.10 0.00 0.00 0.89 0.00 0.00 80 L 9.56 5.39 0.00 1.47 1.49 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.84 4.88 1.88 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 1.14 0.98 0.92 0.00 0.00 82 Y 9.19 5.07 0.00 2.44 2.39 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 83 L 8.92 5.19 0.00 1.71 1.40 0.92 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 84 D 8.61 4.98 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.93 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 1.19 7.81 86 V 7.75 4.17 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 0.89 0.00 0.00 0.93 0.00 0.00 87 S 8.17 4.72 0.00 3.87 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 88 N 7.92 4.37 0.00 2.73 3.08 0.00 0.00 7.04 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 89 Q 7.25 4.53 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 90 T 8.15 4.38 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 1.21 0.00 0.00 91 L 8.45 5.09 0.00 1.67 1.68 0.97 0.84 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 92 S 8.42 5.26 0.00 3.93 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 93 L 9.48 4.57 0.00 1.51 1.69 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.25 5.36 0.00 2.28 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 95 F 9.52 4.93 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.40 5.18 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 1.23 0.00 0.00 97 V 8.85 4.87 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 0.69 0.00 0.00 0.93 0.00 0.00 98 L 8.68 5.37 0.00 1.81 1.51 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.50 4.37 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 100 D 8.87 4.73 0.00 2.60 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 0.00 101 V 7.47 4.31 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 0.82 0.00 0.00 0.93 0.00 0.00 102 P 0.00 4.52 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 103 V 7.83 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 104 R 8.11 4.47 0.00 1.77 1.88 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 105 D 8.11 4.47 0.00 2.60 2.54 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 0.00 0.00 0.00 0.00 106 L 8.33 4.72 0.00 1.58 1.57 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.09 4.47 0.00 1.68 1.66 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.47 7.81 108 P 0.00 4.96 0.00 2.08 2.17 0.00 3.31 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 109 A 8.94 4.90 1.32 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 0.00 0.00 110 I 8.74 4.96 1.88 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 1.11 1.59 0.91 0.00 0.00 111 V 8.82 4.81 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 0.92 0.00 0.00 112 K 9.38 5.09 0.00 1.64 1.61 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.37 7.81 113 V 9.17 4.75 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 0.84 0.00 0.00 0.94 0.00 0.00 114 Y 9.04 5.06 0.00 2.57 2.43 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 0.00 115 D 8.88 4.60 0.00 2.37 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 0.00 0.00 0.00 0.00 116 Y 9.33 4.31 0.00 2.45 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 0.00 117 Y 7.94 2.82 0.00 2.79 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 0.00 118 E 12.00 4.29 0.00 2.37 1.26 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 3.15 2.82 0.00 119 T 8.50 4.14 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 1.23 0.00 0.00 120 D 9.05 4.47 0.00 2.78 2.92 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 0.00 121 E 7.38 4.99 0.00 1.85 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 2.05 2.16 0.00 122 F 7.73 4.59 0.00 2.55 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 0.00 123 A 8.63 4.87 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 0.00 124 I 8.26 4.92 1.87 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 1.29 0.97 0.92 0.00 0.00 125 A 9.07 4.88 1.22 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 0.00 0.00 0.00 126 E 8.66 5.00 0.00 1.95 1.79 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 2.41 2.28 0.00 127 Y 8.74 4.81 0.00 2.72 2.44 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 0.00 128 N 8.12 5.16 0.00 2.63 2.58 0.00 0.00 6.67 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 0.00 129 A 8.58 4.19 1.26 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 0.00 0.00 130 P 0.00 4.53 0.00 2.19 2.09 0.00 3.78 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 2.00 1.97 0.00 131 C 8.14 4.40 0.00 3.03 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 0.00 132 S 8.34 4.16 0.00 3.88 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 0.00 133 K 7.76 4.15 0.00 1.70 1.62 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.27 7.81 134 D 8.76 4.67 0.00 2.62 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 0.00 135 L 8.05 4.83 0.00 1.58 1.51 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.25 3.32 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 0.00 0.00 0.00 137 N 8.44 4.82 0.00 2.77 2.79 0.00 0.00 6.77 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 0.00 138 A 8.34 4.31 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 * Residues marked with a * may have inaccurate shift predictions.