NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5217 8.1727 120.1601 55.9834 33.8890 175.9317 3 V 3.5793 8.8902 122.6328 65.7458 31.3092 176.7990 4 K 3.9764 8.2487 119.2291 59.6534 32.0845 177.8631 5 K 4.0763 8.0226 118.1753 57.8701 32.1930 177.1819 6 W 4.6121 8.1715 117.2612 56.2994 29.7601 176.5051 7 V 4.0347 7.3567 118.2325 62.9474 31.8168 174.9947 8 T 4.7764 9.1479 120.7381 60.6510 69.6802 174.3584 9 Q 4.8044 8.7282 124.0317 56.2318 29.4758 176.3411 10 D 4.8178 8.0967 119.7580 52.1902 39.6939 174.8771 11 F 3.7267 6.9113 116.4666 53.5624 40.8180 173.0664 12 P 3.9396 0.0000 0.0000 62.7298 32.8401 175.4734 *14 V 4.2051 8.1061 113.2854 61.3487 33.6569 174.2368 15 E 4.9490 8.4248 122.3626 55.1421 30.9643 176.9876 16 E 4.1123 9.1097 122.2291 58.4885 29.7896 178.3475 17 S 4.7473 9.1685 113.4681 57.7408 63.6283 174.2647 18 A 4.2611 7.9792 125.2562 52.6225 18.8828 177.8942 19 T 4.6492 8.8563 111.6854 61.1224 71.0177 176.1669 20 V 3.5643 8.6995 121.9979 66.2123 31.4626 178.0444 21 R 3.8976 8.0862 118.3164 59.8116 29.8695 178.2698 22 E 4.0033 8.1514 118.0256 59.4806 29.2157 178.9860 23 C 4.1409 7.8830 117.6830 62.5656 31.7699 175.2659 24 L 4.1571 7.9760 119.5246 57.9618 41.4601 178.7645 25 H 4.3978 8.3202 118.2296 59.2150 29.6802 178.4185 26 R 3.8743 7.8455 117.1670 57.0648 30.0166 178.6957 *28 R 4.3145 7.9609 120.0177 56.4921 31.9948 178.1107 29 Q 3.8933 8.0852 115.4886 58.3784 28.7019 176.7639 30 Y 4.3582 7.7843 113.0703 56.7420 38.6302 175.6092 31 Q 3.3597 7.9302 118.0494 56.9340 26.7332 171.7982 32 T 4.8029 7.5199 109.5120 61.1122 71.4473 172.0878 33 N 5.1834 8.7979 116.4918 52.1947 38.8522 173.1392 34 E 5.2334 8.1135 119.5687 55.0102 33.0849 174.4274 35 C 4.9140 8.9249 125.3904 57.6228 34.8868 173.0293 36 I 4.5413 8.8376 127.5835 61.1520 37.8838 175.4534 37 V 4.8482 9.0647 126.1609 60.9814 34.4333 174.4680 38 K 5.2854 8.8111 125.7960 55.1211 36.7750 174.8496 39 D 4.9398 8.7275 120.9692 52.0779 41.5582 177.5934 40 R 4.0422 8.6401 116.4597 59.0358 30.1006 177.7603 41 E 4.1456 8.2771 115.1966 56.8572 29.9548 177.2310 42 G 3.9942 8.2883 108.5118 45.1849 0.0000 173.2843 43 H 4.5377 8.8619 118.3634 55.0197 29.3115 174.7953 44 F 4.5774 8.7964 126.0864 58.6247 39.7288 174.7596 45 R 4.0763 9.5868 126.6929 55.4206 32.2833 177.1451 46 G 3.4859 5.3800 103.7835 45.1536 0.0000 171.3004 47 V 5.0357 8.1299 113.6655 59.6575 36.5306 174.8585 48 V 4.5997 8.8860 123.2198 61.2535 33.9706 173.8901 49 N 5.2091 8.5395 126.0413 52.1960 40.4031 175.3363 50 K 3.8978 8.9894 127.3807 59.7694 32.0351 178.5822 51 E 3.9468 8.3396 117.2180 59.9776 28.9556 178.7163 52 D 4.4579 8.0811 117.7940 55.8752 40.7763 177.4806 53 L 4.4843 7.8657 118.7234 54.6896 41.8412 178.3221 54 L 4.0141 7.5400 119.7555 57.5628 41.6957 177.6087 55 D 4.8595 8.0064 115.8561 53.9257 41.0094 175.6190 56 L 4.7431 7.1777 118.5954 52.3472 44.0673 176.1754 57 D 4.4327 8.5710 121.7737 54.4622 41.8728 177.4146 58 L 4.0727 8.6059 125.5341 57.8646 41.8510 178.6879 59 D 4.5115 9.2765 118.1104 55.5587 41.3396 176.7631 60 S 4.3850 7.7796 114.7464 57.9018 63.8668 173.0574 61 S 5.0069 8.1902 115.0085 57.3351 63.4987 174.0568 62 V 4.0920 8.4684 117.8483 61.3655 31.7551 177.8121 63 F 4.2389 8.2033 123.2711 60.4848 39.0261 175.8000 64 N 4.6471 8.1987 113.4770 53.3111 38.7209 175.3667 65 K 4.3720 7.9730 117.4875 56.0176 32.6839 176.8037 66 V 3.9683 7.3325 119.4216 62.3302 32.2861 174.6996 67 S 4.6006 8.6190 119.6806 56.7465 66.9548 173.0738 68 L 3.6758 8.3690 116.6822 55.4697 38.3478 174.6307 69 P 4.4740 0.0000 0.0000 64.9897 31.9475 177.1386 70 D 5.1317 8.1908 117.3077 54.2508 41.1034 176.8495 71 F 4.5698 8.1429 123.7482 56.4646 37.7733 174.2272 72 F 4.4904 6.6735 118.6799 55.4555 40.5848 173.4119 73 V 4.5422 8.2708 112.0402 59.9351 36.1734 174.6683 74 H 5.1102 9.3668 119.2063 54.6857 30.4494 176.6479 75 E 3.9559 8.8690 120.8942 59.6174 29.4422 178.8963 76 E 4.4610 8.0083 114.6926 56.4668 30.3648 176.2844 77 D 4.5247 7.8529 120.1880 53.7683 41.6625 175.3128 78 N 4.7290 8.5316 120.4748 53.3223 39.7472 175.8138 79 I 3.7438 8.6784 125.0403 64.5313 37.8997 178.0429 80 T 4.0441 8.0102 110.1097 64.9099 68.5822 175.6920 81 H 4.1461 8.6281 121.4471 59.0050 29.7536 176.8416 82 A 3.5846 7.8127 122.3920 54.8228 18.0104 179.1981 83 L 3.8959 7.8185 118.9974 58.3691 41.9831 179.0247 84 L 3.9425 7.7316 119.9577 57.9280 41.9805 179.0648 85 L 3.8459 7.2823 118.4686 57.8504 41.4616 179.3544 86 F 4.9272 7.6241 117.5930 59.7322 38.7702 177.2000 87 L 4.1371 7.8546 119.7532 58.0575 41.9345 178.5447 88 E 4.1665 7.6357 117.5997 58.1860 29.6300 177.4381 89 H 4.6113 8.0502 116.8646 54.8378 32.8766 174.2869 90 Q 4.7654 8.4712 128.2233 54.7772 27.4411 175.6724 91 E 4.3924 7.7773 118.0216 55.1876 31.1661 176.0823 92 P 4.3458 0.0000 0.0000 65.3084 32.7055 175.4666 93 Y 5.1571 8.4730 117.6279 56.1290 41.5338 174.5412 94 L 4.1681 9.0716 127.4334 52.4813 43.7585 173.8820 95 P 4.2212 0.0000 0.0000 62.9786 32.6940 175.3003 96 V 4.7232 8.3267 123.2927 61.1752 34.1211 174.8443 97 V 4.9277 8.6433 120.3892 59.7081 35.9321 174.7613 98 D 5.0389 8.1544 122.0671 52.1849 41.3556 176.1713 99 E 4.1447 8.9456 116.6808 59.1501 29.7978 177.9372 100 E 4.2353 8.3388 117.3511 57.9121 30.7464 176.5254 *102 R 4.1532 7.5193 116.5896 55.4053 31.3117 174.8279 103 L 4.4778 8.7060 124.8247 55.3506 42.3225 176.8083 104 K 4.5366 10.2954 124.7414 55.4564 34.2005 177.3117 105 G 3.8270 6.7644 105.0651 45.6858 0.0000 170.7754 106 A 4.7945 7.3831 120.8532 50.3215 23.5240 175.8152 107 V 4.7354 8.4827 119.9082 60.9570 33.4950 175.5553 108 S 4.6173 8.8510 122.9868 58.0607 64.0731 175.0920 109 L 3.3319 8.7000 124.3198 58.2859 41.7058 178.8566 110 H 4.0133 8.1033 117.6919 59.6597 29.8098 176.8001 111 D 4.4722 8.3989 120.5131 57.2387 40.6659 178.4937 112 F 3.8932 8.5219 121.5438 61.2848 39.2465 177.2036 113 L 3.5709 7.9061 118.5378 57.5131 40.9345 178.9888 114 E 3.8171 7.9382 119.0756 59.2873 29.3055 178.8526 115 A 3.5100 6.9377 119.7400 54.6753 18.3384 179.3467 116 L 3.7634 7.2114 117.5378 57.4982 41.0368 179.7806 117 I 3.6002 7.2761 119.8505 63.3988 37.0491 176.3925 118 E 3.9449 6.8339 117.0953 57.0651 30.1936 175.5739 119 A 4.3344 8.8005 130.0739 52.3568 17.6624 178.7756 120 L 4.6347 6.9217 120.7690 54.1467 40.3978 177.1717 121 A 4.4621 8.2874 129.0018 54.6311 18.8610 175.9705 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 K 8.17 4.52 0.00 1.94 1.86 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.71 7.81 3 V 8.89 3.58 2.40 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 0.98 0.00 0.00 1.02 0.00 0.00 4 K 8.25 3.98 0.00 2.13 1.84 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 5 K 8.02 4.08 0.00 1.74 1.76 0.00 1.47 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.07 1.24 7.81 6 W 8.17 4.61 0.00 3.45 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 7 V 7.36 4.03 2.25 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 0.75 0.00 0.00 1.04 0.00 0.00 8 T 9.15 4.78 4.42 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 1.52 0.00 0.00 9 Q 8.73 4.80 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 10 D 8.10 4.82 0.00 2.80 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 11 F 6.91 3.73 0.00 2.21 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 12 P 0.00 3.94 0.00 2.05 2.07 0.00 2.44 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 *14 V 8.11 4.21 2.11 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 0.69 0.00 0.00 0.96 0.00 0.00 15 E 8.42 4.95 0.00 2.04 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 2.54 2.27 0.00 16 E 9.11 4.11 0.00 2.19 2.19 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 2.42 2.60 0.00 17 S 9.17 4.75 0.00 3.93 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 18 A 7.98 4.26 1.34 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 0.00 0.00 19 T 8.86 4.65 4.44 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 1.30 0.00 0.00 20 V 8.70 3.56 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 1.08 0.00 0.00 1.01 0.00 0.00 21 R 8.09 3.90 0.00 2.05 1.94 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 22 E 8.15 4.00 0.00 2.24 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 2.34 2.33 0.00 23 C 7.88 4.14 0.00 3.02 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 24 L 7.98 4.16 0.00 1.82 1.76 0.94 1.32 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 25 H 8.32 4.40 0.00 3.34 3.53 0.00 5.79 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 26 R 7.85 3.87 0.00 2.09 1.99 0.00 3.39 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 *28 R 7.96 4.31 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 29 Q 8.09 3.89 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.02 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 30 Y 7.78 4.36 0.00 2.94 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 31 Q 7.93 3.36 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 32 T 7.52 4.80 4.67 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 1.48 0.00 0.00 33 N 8.80 5.18 0.00 2.87 2.99 0.00 0.00 5.32 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 34 E 8.11 5.23 0.00 2.29 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 2.35 2.39 0.00 35 C 8.92 4.91 0.00 3.05 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 36 I 8.84 4.54 2.28 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 1.19 0.00 0.00 37 V 9.06 4.85 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 1.05 0.00 0.00 0.94 0.00 0.00 38 K 8.81 5.29 0.00 2.04 1.97 0.00 1.39 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 39 D 8.73 4.94 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 40 R 8.64 4.04 0.00 1.85 2.06 0.00 3.21 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 41 E 8.28 4.15 0.00 2.20 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 2.34 2.31 0.00 42 G 8.29 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 0.00 0.00 0.00 43 H 8.86 4.54 0.00 3.50 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.80 4.58 0.00 2.83 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 45 R 9.59 4.08 0.00 1.73 1.69 0.00 3.43 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 46 G 5.38 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 0.00 0.00 0.00 47 V 8.13 5.04 2.19 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 1.03 0.00 0.00 0.94 0.00 0.00 48 V 8.89 4.60 2.11 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 0.95 0.00 0.00 0.93 0.00 0.00 49 N 8.54 5.21 0.00 2.80 2.65 0.00 0.00 6.83 6.27 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 50 K 8.99 3.90 0.00 2.02 1.83 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 51 E 8.34 3.95 0.00 2.23 2.23 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 2.37 2.43 0.00 52 D 8.08 4.46 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 53 L 7.87 4.48 0.00 1.80 1.70 0.95 0.45 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 54 L 7.54 4.01 0.00 1.63 1.74 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.01 4.86 0.00 2.66 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 56 L 7.18 4.74 0.00 1.72 1.57 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.57 4.43 0.00 2.68 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 58 L 8.61 4.07 0.00 1.75 1.71 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.28 4.51 0.00 2.71 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 60 S 7.78 4.38 0.00 4.04 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 61 S 8.19 5.01 0.00 3.86 3.84 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 0.00 0.00 0.00 0.00 62 V 8.47 4.09 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 0.74 0.00 0.00 1.08 0.00 0.00 63 F 8.20 4.24 0.00 2.93 3.16 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 0.00 0.00 0.00 0.00 64 N 8.20 4.65 0.00 2.79 2.84 0.00 0.00 6.82 7.61 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 65 K 7.97 4.37 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 66 V 7.33 3.97 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 0.70 0.00 0.00 0.89 0.00 0.00 67 S 8.62 4.60 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 68 L 8.37 3.68 0.00 1.90 1.77 0.43 0.56 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 69 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 70 D 8.19 5.13 0.00 2.75 2.76 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 0.00 0.00 0.00 0.00 71 F 8.14 4.57 0.00 2.94 3.25 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 72 F 6.67 4.49 0.00 2.52 2.25 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 73 V 8.27 4.54 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 0.42 0.00 0.00 0.74 0.00 0.00 74 H 9.37 5.11 0.00 3.46 3.23 0.00 5.83 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 75 E 8.87 3.96 0.00 2.07 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 2.34 2.50 0.00 76 E 8.01 4.46 0.00 1.96 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 2.29 2.27 0.00 77 D 7.85 4.52 0.00 2.88 2.61 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 78 N 8.53 4.73 0.00 2.82 2.72 0.00 0.00 6.61 7.72 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 79 I 8.68 3.74 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.95 0.86 0.00 0.00 80 T 8.01 4.04 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 1.21 0.00 0.00 81 H 8.63 4.15 0.00 3.22 3.49 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.81 3.58 1.13 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 0.00 0.00 83 L 7.82 3.90 0.00 2.15 1.93 1.16 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.73 3.94 0.00 1.75 1.56 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.28 3.85 0.00 1.26 1.12 0.62 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.62 4.93 0.00 2.79 2.90 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 87 L 7.85 4.14 0.00 1.73 1.87 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.64 4.17 0.00 2.10 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 2.28 2.49 0.00 89 H 8.05 4.61 0.00 2.40 2.68 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.47 4.77 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 91 E 7.78 4.39 0.00 2.24 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 1.88 1.62 0.00 92 P 0.00 4.35 0.00 1.75 2.23 0.00 3.89 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 2.45 2.10 0.00 93 Y 8.47 5.16 0.00 3.08 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 94 L 9.07 4.17 0.00 0.93 1.41 -0.52 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.22 0.00 1.14 1.31 0.00 3.16 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 96 V 8.33 4.72 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 0.76 0.00 0.00 0.79 0.00 0.00 97 V 8.64 4.93 1.86 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 0.36 0.00 0.00 0.52 0.00 0.00 98 D 8.15 5.04 0.00 2.68 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 99 E 8.95 4.14 0.00 1.99 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 2.30 2.34 0.00 100 E 8.34 4.24 0.00 2.05 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 2.28 2.32 0.00 *102 R 7.52 4.15 0.00 2.17 1.85 0.00 3.06 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.49 0.00 103 L 8.71 4.48 0.00 1.69 1.67 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 104 K 10.30 4.54 0.00 1.67 1.80 0.00 1.90 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.60 7.81 105 G 6.76 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 0.00 106 A 7.38 4.79 0.56 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 0.00 0.00 107 V 8.48 4.74 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 1.24 0.00 0.00 1.01 0.00 0.00 108 S 8.85 4.62 0.00 3.76 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 0.00 109 L 8.70 3.33 0.00 1.49 1.46 0.10 0.62 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 0.00 110 H 8.10 4.01 0.00 3.19 3.29 0.00 5.73 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 0.00 111 D 8.40 4.47 0.00 3.05 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 0.00 112 F 8.52 3.89 0.00 3.11 3.03 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 0.00 113 L 7.91 3.57 0.00 1.73 1.53 0.83 0.56 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 0.00 114 E 7.94 3.82 0.00 2.11 2.19 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 2.49 2.37 0.00 115 A 6.94 3.51 -0.11 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 0.00 116 L 7.21 3.76 0.00 1.48 1.44 0.46 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.28 3.60 1.99 0.00 0.00 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 1.33 1.13 0.94 0.00 0.00 118 E 6.83 3.94 0.00 2.05 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 2.39 2.33 0.00 119 A 8.80 4.33 1.40 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 0.00 0.00 0.00 120 L 6.92 4.63 0.00 1.56 1.23 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.29 4.46 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.