NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8379 8.1976 109.7404 45.6342 0.0000 175.2970 *2 S 4.4437 7.9326 114.8648 58.5349 65.0845 175.3833 3 N 4.3023 8.3757 118.8490 56.1493 38.1367 176.9787 4 I 3.5960 7.5291 120.2955 64.7981 37.2086 178.2358 5 Y 3.9485 7.8230 116.8887 60.9069 37.7346 177.8055 6 D 4.4113 9.0376 120.7164 57.5355 40.8592 179.0749 7 S 4.0719 8.2857 115.4633 61.2527 62.7999 176.3200 8 A 3.8998 8.0682 123.7237 55.2115 18.0331 179.1212 9 N 4.2058 8.2168 115.1910 56.9444 39.0327 176.5869 10 E 3.9234 8.2645 120.0295 59.5778 29.5264 179.3739 11 L 3.8814 8.2146 120.3974 57.9780 42.1752 178.6561 12 S 4.0104 8.1325 113.1881 61.7200 62.3391 176.5308 13 R 3.9734 8.4034 121.0753 59.0291 29.5365 179.1896 14 G 3.6547 7.9960 104.7937 47.9315 0.0000 175.4189 15 L 4.0875 8.1204 121.7348 57.5327 41.4269 179.8610 16 R 3.2698 7.6289 116.9507 58.2911 29.9952 178.3665 17 G 3.8671 7.6534 103.1670 43.8309 0.0000 173.7332 18 L 4.0584 7.2525 124.1768 54.1069 42.9441 176.0255 19 P 4.2910 0.0000 0.0000 65.7906 31.0941 178.7672 20 E 4.0003 7.9516 117.0716 59.3203 29.4069 178.5402 21 Y 3.9440 7.8372 119.1050 60.5923 38.9336 178.0048 22 K 3.7634 8.1051 119.2039 59.3093 32.1492 179.0111 23 A 3.9269 8.3839 121.3776 55.2954 18.2355 179.9330 24 V 3.4157 7.3989 116.3091 65.8511 31.5754 178.2122 25 K 3.7665 7.7082 119.1710 59.3650 32.0191 178.6052 26 A 3.9200 8.2467 121.2554 55.1932 18.2553 179.5233 27 A 3.9838 8.0363 119.2743 54.9425 18.3414 179.8321 28 K 3.4667 8.2739 118.4753 59.4055 32.2234 178.7853 29 D 4.2258 8.1683 119.0981 57.3372 40.5151 178.6324 30 A 3.9735 7.7227 120.0832 55.0447 18.5311 179.5344 31 I 3.6338 7.4462 117.6155 64.5915 36.9964 178.2449 32 A 3.8599 7.7160 120.0998 55.1949 18.1686 178.7894 33 A 4.4278 7.8384 116.5891 52.0255 19.2565 177.0862 34 D 4.6606 7.9873 117.8030 52.2459 42.0623 176.1241 35 A 3.9633 8.6218 130.2617 55.3053 18.3696 178.7092 36 E 3.8703 8.0837 116.9086 59.5018 29.8899 178.6997 37 A 4.0680 8.1765 120.7728 55.2325 18.3591 179.5748 38 S 4.0590 8.3922 114.0673 61.6865 62.9153 177.0608 39 K 3.9865 7.8177 121.1611 59.5471 32.0671 178.7689 40 I 3.8320 7.6973 119.9128 64.5402 37.0069 178.0575 41 F 4.0574 8.5807 121.3546 61.6112 39.2647 177.0701 42 T 3.9181 8.2963 115.3834 66.8932 68.3286 176.0313 43 D 4.4719 8.6462 120.9037 57.7123 40.7174 178.3678 44 Y 3.2894 8.0710 118.6923 60.4511 38.8810 177.4722 45 L 3.8009 7.8844 120.0115 58.0887 41.8587 179.5436 46 A 4.0794 7.9595 119.8710 54.5387 18.3611 179.1989 47 F 4.3771 7.9635 119.0399 60.8505 39.2306 177.2171 48 Q 3.8348 7.5761 118.2409 58.8628 28.3013 178.3913 49 E 3.9634 7.7610 117.5780 58.9993 29.6691 178.7751 50 E 4.0312 7.9511 119.6945 58.2235 29.3809 178.0719 51 I 3.8489 6.8714 111.4777 62.1841 38.2345 177.6935 52 Q 4.0145 7.8002 120.6304 58.9508 28.6797 178.2690 53 K 3.9713 7.6227 119.5300 59.1537 32.2254 178.0411 54 L 3.9371 6.9238 116.8732 55.3284 42.1300 176.2053 55 A 3.7980 7.8054 123.3616 52.2433 18.8876 176.5208 *61 P 4.0242 0.0000 0.0000 63.3526 32.8120 177.0330 62 D 4.6140 8.5354 122.7976 53.3134 41.6904 176.4699 63 A 4.1219 8.5429 130.4422 54.9283 18.4720 178.9896 64 S 4.0494 8.1611 111.5525 61.5496 62.4353 175.8809 65 F 4.2835 10.0302 123.0109 61.2880 39.2119 176.7569 66 Q 4.1677 8.0467 116.0144 59.2430 28.7747 177.9883 67 A 4.1359 7.9611 122.9878 54.6506 18.3868 180.1533 68 K 3.5966 7.8564 112.7693 57.5629 31.7669 178.4200 *70 E 4.1659 8.1992 122.8921 56.1964 31.6368 178.2190 71 G 3.3221 7.9016 105.3624 47.8332 0.0000 175.8548 72 F 4.1686 7.7582 120.7027 59.7169 38.6550 178.1623 73 G 3.4126 7.8140 105.1556 47.6773 0.0000 175.8448 74 K 3.9426 7.7418 120.8972 59.1903 31.8394 179.3656 75 Q 3.9763 7.8258 117.1890 59.0121 28.8328 179.1568 76 I 3.9529 7.6404 120.6184 64.6230 37.0965 178.5638 77 Q 4.2024 8.2546 117.6626 58.4811 28.5655 178.4338 78 G 3.8978 8.1130 105.0566 44.5038 0.0000 172.7744 79 N 4.9609 7.5656 120.7626 51.6117 40.7478 175.2986 80 S 4.2612 8.6739 123.7416 61.1548 62.9967 176.5551 81 L 4.0251 7.9816 121.2384 57.7033 41.4104 179.4698 82 L 4.1522 8.3841 119.1711 57.9711 41.8237 179.7899 83 S 4.4062 8.5932 114.4372 61.1881 63.0076 176.1706 84 E 4.0578 8.4931 123.4229 58.9695 29.3548 178.3500 85 F 4.0478 8.2522 120.7022 61.5213 39.5027 177.0982 86 F 4.0819 8.2314 117.2659 60.8213 38.8200 177.9069 87 T 3.9254 7.8492 115.4836 66.5765 68.2891 177.0080 88 K 3.9523 7.8444 119.9338 59.4117 32.1233 179.0870 89 Q 3.7485 8.2508 120.1968 59.1354 28.6242 178.4469 90 Q 3.9526 8.0623 120.3897 59.3304 29.2071 177.9304 91 Q 4.0597 7.9150 118.7561 59.0672 28.6896 179.0215 92 L 4.0957 8.1064 120.7614 58.2971 42.2971 178.7594 93 A 4.0443 8.1850 120.6267 55.3859 18.3060 179.7723 94 I 3.7191 7.6696 118.4482 64.5576 37.1868 178.1772 95 Y 3.9228 7.6447 116.8761 61.1793 37.7141 178.5940 96 L 4.0878 8.3843 120.1655 58.0448 41.8292 179.6923 97 S 4.1404 8.0903 112.5408 61.1239 62.2460 175.7104 98 D 4.3668 7.9812 121.3660 57.6031 40.5589 178.9567 99 I 3.6886 7.8688 119.9241 64.3521 37.1459 177.9427 100 E 3.9847 8.4788 120.3776 59.3738 28.9130 178.9387 101 K 3.9648 8.0010 118.0052 59.6113 31.9280 179.2255 102 I 3.6844 7.2756 118.0566 64.5754 37.1831 178.4026 103 V 3.5129 7.7338 117.7007 64.9474 31.3798 176.5010 104 F 5.0057 7.7318 114.7569 56.9775 39.8468 176.4612 105 E 3.9492 8.0067 123.0296 59.3497 29.0084 177.3695 106 P 4.3338 0.0000 0.0000 65.1480 31.5461 178.6094 107 V 3.7691 7.7763 116.9820 66.1484 31.6943 177.8113 108 S 4.0919 8.3594 115.2585 62.1892 62.4913 176.9129 109 E 4.0994 7.8998 119.2644 58.8860 29.2735 178.7415 110 L 4.2000 8.0056 117.8323 56.0667 41.8145 176.9480 111 L 4.2954 7.6676 123.8813 54.7184 41.8163 176.1201 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 0 G 8.20 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 0.00 0.00 0.00 *2 S 7.93 4.44 0.00 4.08 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.30 0.00 2.96 2.94 0.00 0.00 7.05 7.44 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 4 I 7.53 3.60 1.74 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 1.41 0.35 0.37 0.00 0.00 5 Y 7.82 3.95 0.00 3.15 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 6 D 9.04 4.41 0.00 2.82 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 7 S 8.29 4.07 0.00 3.80 3.85 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 8 A 8.07 3.90 1.30 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 9 N 8.22 4.21 0.00 2.89 3.02 0.00 0.00 7.27 7.11 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 10 E 8.26 3.92 0.00 2.24 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 2.32 2.42 0.00 11 L 8.21 3.88 0.00 1.68 1.60 0.89 0.68 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 12 S 8.13 4.01 0.00 4.01 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 13 R 8.40 3.97 0.00 1.83 1.93 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 14 G 8.00 3.65 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 0.00 0.00 0.00 15 L 8.12 4.09 0.00 1.70 1.61 0.89 1.20 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 16 R 7.63 3.27 0.00 1.76 1.82 0.00 3.04 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.35 0.00 17 G 7.65 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 18 L 7.25 4.06 0.00 1.89 1.51 0.70 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.29 0.00 2.15 2.07 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 20 E 7.95 4.00 0.00 1.84 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 2.50 2.43 0.00 21 Y 7.84 3.94 0.00 3.12 3.15 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 22 K 8.11 3.76 0.00 1.98 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.68 7.81 23 A 8.38 3.93 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 24 V 7.40 3.42 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 0.80 0.00 0.00 0.85 0.00 0.00 25 K 7.71 3.77 0.00 1.28 1.56 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.37 7.81 26 A 8.25 3.92 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 27 A 8.04 3.98 1.39 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 28 K 8.27 3.47 0.00 1.77 1.85 0.00 0.61 0.00 0.00 0.75 0.00 0.00 2.50 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.25 7.81 29 D 8.17 4.23 0.00 2.86 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 30 A 7.72 3.97 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.45 3.63 1.58 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.59 0.00 0.00 32 A 7.72 3.86 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 33 A 7.84 4.43 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 34 D 7.99 4.66 0.00 2.83 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 35 A 8.62 3.96 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.08 3.87 0.00 2.06 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 2.40 2.39 0.00 37 A 8.18 4.07 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 38 S 8.39 4.06 0.00 4.03 3.95 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 39 K 7.82 3.99 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.66 7.81 40 I 7.70 3.83 2.01 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 1.60 0.63 1.06 0.00 0.00 41 F 8.58 4.06 0.00 3.28 3.23 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 42 T 8.30 3.92 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 1.26 0.00 0.00 43 D 8.65 4.47 0.00 3.11 3.14 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 44 Y 8.07 3.29 0.00 2.57 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 45 L 7.88 3.80 0.00 1.84 1.65 0.62 0.71 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 46 A 7.96 4.08 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 47 F 7.96 4.38 0.00 2.90 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 48 Q 7.58 3.83 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 49 E 7.76 3.96 0.00 2.28 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 0.00 2.37 2.33 0.00 50 E 7.95 4.03 0.00 1.60 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 2.35 2.32 0.00 51 I 6.87 3.85 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.80 0.00 0.00 52 Q 7.80 4.01 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 53 K 7.62 3.97 0.00 1.76 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.47 7.81 54 L 6.92 3.94 0.00 1.56 1.50 0.30 -0.05 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 55 A 7.81 3.80 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 *61 P 0.00 4.02 0.00 2.11 2.09 0.00 3.68 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 1.94 2.09 0.00 62 D 8.54 4.61 0.00 2.75 2.62 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 63 A 8.54 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.05 0.00 3.97 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 65 F 10.03 4.28 0.00 3.21 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 66 Q 8.05 4.17 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 67 A 7.96 4.14 1.39 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 68 K 7.86 3.60 0.00 1.92 1.43 0.00 1.93 0.00 0.00 2.03 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.41 7.81 *70 E 8.20 4.17 0.00 2.13 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 2.21 2.28 0.00 71 G 7.90 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 72 F 7.76 4.17 0.00 2.86 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 3.41 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 0.00 74 K 7.74 3.94 0.00 1.85 1.80 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.55 7.81 75 Q 7.83 3.98 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 76 I 7.64 3.95 1.88 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.49 1.00 0.00 0.00 77 Q 8.25 4.20 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 78 G 8.11 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 0.00 0.00 0.00 79 N 7.57 4.96 0.00 2.84 2.73 0.00 0.00 7.05 7.77 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 80 S 8.67 4.26 0.00 3.92 3.91 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 81 L 7.98 4.03 0.00 1.87 1.69 0.93 0.66 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 82 L 8.38 4.15 0.00 2.16 2.04 1.07 0.91 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 83 S 8.59 4.41 0.00 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.06 0.00 2.20 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 2.32 2.38 0.00 85 F 8.25 4.05 0.00 3.03 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 86 F 8.23 4.08 0.00 3.34 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 87 T 7.85 3.93 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 1.23 0.00 0.00 88 K 7.84 3.95 0.00 1.96 1.73 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 Q 8.25 3.75 0.00 1.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 90 Q 8.06 3.95 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 91 Q 7.92 4.06 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 92 L 8.11 4.10 0.00 1.79 1.84 1.02 1.05 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 93 A 8.19 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 3.72 2.00 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 1.48 0.90 0.73 0.00 0.00 95 Y 7.64 3.92 0.00 3.37 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 96 L 8.38 4.09 0.00 1.75 1.79 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.09 4.14 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.37 0.00 3.05 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 99 I 7.87 3.69 2.05 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 1.67 1.02 0.89 0.00 0.00 100 E 8.48 3.98 0.00 2.31 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 0.00 2.55 2.71 0.00 101 K 8.00 3.96 0.00 2.16 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.53 7.81 102 I 7.28 3.68 1.96 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 1.39 0.62 0.87 0.00 0.00 103 V 7.73 3.51 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 -0.11 0.00 0.00 0.73 0.00 0.00 104 F 7.73 5.01 0.00 3.28 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 0.00 105 E 8.01 3.95 0.00 2.33 2.14 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 2.32 2.43 0.00 106 P 0.00 4.33 0.00 2.09 2.11 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 107 V 7.78 3.77 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 1.14 0.00 0.00 1.08 0.00 0.00 108 S 8.36 4.09 0.00 4.11 3.96 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 0.00 109 E 7.90 4.10 0.00 2.11 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 2.59 0.00 110 L 8.01 4.20 0.00 1.80 1.72 0.93 1.25 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 0.00 111 L 7.67 4.30 0.00 1.74 1.55 0.91 0.64 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 * Residues marked with a * may have inaccurate shift predictions.