NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 H 4.7014 8.4029 117.3717 53.9627 30.7777 175.0797 3 E 4.4011 8.1095 116.9104 60.4175 30.6044 182.4897 *4 W 3.8317 8.4128 124.4481 60.8359 28.8127 178.8966 5 A 4.5477 7.7823 118.1268 55.0240 18.8455 178.8815 6 L 3.9202 7.2273 117.3380 58.3203 41.7539 179.8602 7 A 4.0296 9.0158 121.1184 54.4823 18.2479 179.2355 8 D 4.2117 8.5290 117.3213 57.3598 41.3994 178.1983 9 A 4.0498 7.9699 120.7691 55.0907 18.2395 179.6560 10 I 3.6375 7.5041 118.2106 64.7074 37.2354 178.8332 11 V 3.7682 7.8919 119.0014 66.0581 31.3375 178.3066 12 R 3.9732 8.1201 118.1239 59.2579 29.6733 178.8734 13 T 3.8885 7.6517 112.1002 65.6356 67.6117 175.9233 14 V 3.6940 8.2962 120.7930 65.8125 31.5377 177.6422 15 L 4.0011 8.7744 119.5195 57.5034 41.6832 179.1901 16 D 4.3734 8.0904 117.9988 57.2162 40.9871 177.5187 17 Y 4.0763 8.2039 119.4583 60.3988 39.1647 177.3356 18 A 4.0824 8.0344 120.9222 54.0998 18.3644 179.3114 19 Q 3.8645 7.4713 118.4231 59.1968 29.0629 177.5998 20 R 4.3031 7.5004 113.1177 56.7780 29.6140 176.3992 21 E 4.3032 7.3793 117.8104 55.0198 31.8831 175.8407 22 G 3.7614 7.9272 105.7757 46.3228 0.0000 173.4683 23 A 4.4023 7.6657 120.5637 51.1675 20.0085 178.2903 24 S 4.5399 8.2020 113.3510 59.2976 64.3060 174.7722 25 R 4.5088 7.3779 116.2388 55.3446 33.4853 173.9021 26 V 4.0183 8.1624 122.1028 61.7598 32.5869 175.4113 27 K 4.2525 8.6169 128.8368 58.4781 32.7912 175.8263 28 A 5.2002 7.6487 118.6204 50.2725 23.1364 174.7970 29 V 4.2271 8.8958 118.8184 61.1875 34.9070 174.1330 30 R 4.7361 8.6312 128.5739 54.8037 31.3461 175.0277 31 V 4.3614 8.3832 127.0876 61.0460 34.1299 174.2007 32 V 4.7205 8.4561 127.7657 61.6160 32.4755 174.6546 33 L 4.8595 9.5266 128.8708 52.8175 45.1614 175.9169 34 G 4.1611 8.4282 108.9429 44.5737 0.0000 174.6427 35 E 4.1598 8.9093 120.9464 57.8942 29.8246 177.4325 36 L 4.3057 7.6730 118.1601 54.9961 42.3016 176.1180 37 Q 4.2646 7.9610 119.5468 54.6971 28.7278 175.7862 38 D 4.6732 8.4182 124.5492 52.9727 39.8539 176.0024 39 V 4.3415 7.6212 115.2840 58.2303 35.5642 176.0452 40 A 4.1373 8.3829 125.4953 51.6004 19.2887 178.4823 41 E 3.5088 8.6078 125.2649 59.6319 29.5747 179.2455 42 D 4.4647 7.9533 118.5829 56.2420 39.3482 178.6094 43 I 3.6578 7.5952 120.9831 64.3656 37.2721 177.9420 44 V 3.5508 7.5810 121.2020 66.8366 31.1158 178.9556 45 K 4.1540 8.1330 122.7445 59.8199 31.7882 180.7330 46 F 4.4519 8.7199 123.7124 60.5932 39.3974 177.1942 47 A 4.1456 9.1520 120.9849 55.2378 18.2092 179.5984 48 M 3.6545 8.0874 117.6184 58.3623 31.9561 178.7416 49 E 4.0003 8.2836 119.0493 59.4597 29.3575 179.4896 50 Q 3.9818 7.5066 116.9409 58.8754 28.8862 178.4777 51 L 4.1417 7.5464 118.0802 56.8566 41.9473 178.6062 52 F 4.9998 7.9147 116.8378 57.4433 39.1442 175.6176 53 A 4.2000 7.1383 121.9396 53.7928 18.3664 177.8474 54 G 3.9556 9.6828 113.0328 45.4193 0.0000 173.4043 55 T 4.4325 7.5221 110.4072 59.8905 70.9793 175.2254 56 I 3.8314 8.0877 112.7588 62.4573 37.8898 176.7432 57 A 4.1126 7.3369 122.9058 51.5385 19.1654 176.5510 58 E 3.8536 7.4773 117.4403 57.7889 29.8945 176.8218 59 G 3.8558 8.8099 112.4958 46.4417 0.0000 172.7113 60 A 4.5114 7.7180 124.2284 51.0874 19.6519 179.0693 61 E 3.9799 8.7769 121.1953 57.0106 30.9764 173.3101 62 I 4.6544 8.3439 125.7161 58.6007 38.6342 174.4321 63 E 4.3299 8.5372 128.5405 55.2216 31.2000 174.8016 64 F 5.3448 8.6862 124.1622 55.6907 41.7333 174.8956 65 V 4.4743 9.2850 123.3973 60.9799 34.3101 174.1402 66 E 4.6622 8.9270 128.7236 55.9503 30.8692 175.4255 67 E 4.4789 9.7473 128.4984 54.1818 30.9788 174.9528 68 E 4.0307 8.7624 126.2742 56.6148 30.9505 176.4656 69 A 4.3114 8.6619 122.3192 50.7312 21.1498 176.8321 70 V 3.9121 7.2385 120.1483 61.3271 34.2221 174.3372 71 F 4.5261 8.0932 126.9149 55.4605 41.6768 175.1310 72 K 4.8000 8.1532 121.9897 54.4490 34.5652 175.1716 73 C 4.4444 9.7151 130.2392 59.1644 32.2607 174.5079 74 R 4.6005 8.2157 128.7201 54.4863 28.4114 174.8516 75 N 5.0791 7.7320 114.6964 55.2173 45.7800 174.1534 76 C 4.7609 7.7913 109.0333 56.6756 30.8220 173.3143 77 N 4.5403 8.5006 116.9651 54.8891 37.7816 172.5269 78 Y 4.9702 7.6426 117.6340 56.2328 40.2362 173.8590 79 E 5.2748 8.8405 126.3846 55.0805 31.4239 175.4053 80 W 5.0715 8.7073 119.5028 55.2377 32.1916 173.3488 81 K 4.7062 8.6652 121.1386 54.8721 33.4899 177.2711 82 L 4.2694 8.4183 126.5883 58.9436 41.2681 180.5339 83 K 4.1114 8.2003 121.6475 58.5709 31.3940 179.4301 84 E 4.7071 8.7467 119.9596 58.5356 30.1896 177.6853 85 V 4.3318 8.1129 120.4508 64.4458 33.0923 183.9505 86 K 4.3991 7.9370 121.9051 60.3817 32.0672 183.2533 87 D 4.7183 7.7859 118.7423 56.3420 40.6361 178.9763 88 K 4.1573 8.0689 121.4999 59.5739 32.4723 179.5019 *89 F 4.0589 7.8849 120.8354 61.8036 37.9121 179.3728 90 D 4.6168 8.1992 121.1996 58.2018 39.4276 179.4030 91 E 4.0610 8.1650 120.4673 61.0537 29.5227 180.8679 92 R 4.2450 7.9643 117.7715 59.5609 29.9269 181.4930 93 I 4.3967 7.5128 119.4746 64.3396 37.8486 178.3729 94 K 2.4800 7.6298 125.9405 58.9780 31.4739 183.4566 95 E 4.1964 7.2892 116.8337 60.8746 30.1862 181.6617 96 D 4.6379 7.5301 117.3546 53.8077 42.5616 176.8019 97 I 3.8855 8.7160 128.4011 65.6121 37.4393 178.5609 *98 H 4.3320 8.4066 114.9474 56.0709 27.4437 178.1494 99 F 4.5020 7.8038 121.4037 61.4615 39.0389 176.7206 100 I 3.1419 8.0712 119.1598 63.9029 36.8271 176.2279 101 P 4.3046 0.0000 0.0000 64.7045 31.8030 177.2604 102 E 4.1455 7.8242 118.0430 57.7039 29.7033 178.2781 103 V 3.7241 8.2894 119.5362 65.9140 31.4952 178.0913 104 V 3.7314 7.5035 120.1085 67.0670 31.2303 178.4934 *105 H 4.2095 7.7867 116.6935 59.2383 27.8104 178.4979 106 A 4.2581 7.6623 120.0981 53.3843 18.7974 178.0487 107 F 4.6546 8.0668 115.9803 59.2732 42.1673 177.6137 108 L 4.6490 7.7430 118.5344 51.8577 39.3204 176.9873 109 A 4.5619 7.0541 123.3681 51.5086 22.5348 175.4352 110 C 4.6597 8.7479 120.0930 56.7400 33.3090 173.1876 111 P 4.1913 0.0000 0.0000 66.1578 31.2504 178.5727 112 K 4.1632 8.1131 118.9936 56.8591 31.5263 179.9698 113 C 4.7245 8.5856 110.9616 57.1611 31.4583 176.2796 114 G 4.6247 8.5754 118.0401 44.9631 0.0000 173.8466 115 S 3.0836 7.4990 113.6292 60.9373 63.0987 170.4265 116 H 4.6030 8.0255 117.2030 56.0299 31.8381 174.1143 117 D 4.7208 8.3110 120.4762 51.7771 40.7059 174.5115 118 F 5.0854 7.7689 118.5908 54.2931 41.2227 174.3788 119 E 4.6244 8.7446 120.9021 54.2488 32.0143 174.8957 120 V 4.3365 8.1942 123.6594 61.3924 32.5120 174.4185 121 V 3.7979 7.8729 127.5158 62.2592 31.9366 175.0564 122 K 4.5222 7.7469 120.4701 54.9446 33.9702 174.8306 123 G 3.8385 8.1289 122.1961 46.2243 0.0000 173.4263 124 R 3.9337 8.5114 119.7747 56.9100 31.5853 176.8299 125 G 4.0922 9.1756 109.5919 45.6685 0.0000 173.0445 126 V 4.4056 8.1100 119.8619 60.7100 34.0262 174.5082 127 Y 4.7739 7.8010 124.1772 54.6456 40.7015 174.9691 128 V 3.5204 8.6119 122.9959 63.2473 31.6236 175.4379 129 A 4.4690 8.4900 130.6409 53.6535 19.2823 177.2015 130 G 4.0612 7.3391 100.5123 44.9506 0.0000 173.0039 131 I 4.4541 8.3495 123.2921 59.0862 40.0497 174.6800 132 K 4.4265 8.6654 127.0780 54.8177 33.2628 175.2349 133 I 4.7450 7.9636 118.7359 59.2625 40.6155 173.5357 134 E 4.6318 8.4652 119.4294 54.9927 32.2849 174.6471 135 K 4.7232 8.6525 126.6975 55.5554 36.2285 176.6767 136 E 4.7081 8.4501 114.9644 54.2504 30.3160 175.8623 137 G 4.1922 9.0008 110.3093 42.2470 0.0000 172.1191 138 G 3.5622 8.7220 111.6379 45.8832 0.0000 172.1573 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 H 8.40 4.70 0.00 2.85 3.14 0.00 7.13 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.11 4.40 0.00 2.03 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 2.23 2.00 0.00 *4 W 8.41 3.83 0.00 2.58 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 5 A 7.78 4.55 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.23 3.92 0.00 2.13 1.77 0.92 0.84 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 7 A 9.02 4.03 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 8 D 8.53 4.21 0.00 2.76 2.84 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 9 A 7.97 4.05 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 10 I 7.50 3.64 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 1.43 0.97 0.92 0.00 0.00 11 V 7.89 3.77 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 1.35 0.00 0.00 0.61 0.00 0.00 12 R 8.12 3.97 0.00 2.12 1.99 0.00 3.37 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.03 0.00 13 T 7.65 3.89 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 1.29 0.00 0.00 14 V 8.30 3.69 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 1.06 0.00 0.00 1.09 0.00 0.00 15 L 8.77 4.00 0.00 2.02 1.77 0.90 1.37 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 16 D 8.09 4.37 0.00 3.01 2.87 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 17 Y 8.20 4.08 0.00 3.07 3.19 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 18 A 8.03 4.08 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 19 Q 7.47 3.86 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 20 R 7.50 4.30 0.00 1.98 1.97 0.00 3.05 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 21 E 7.38 4.30 0.00 1.73 1.74 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 1.60 1.47 0.00 22 G 7.93 3.76 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 0.00 0.00 0.00 23 A 7.67 4.40 1.21 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 0.00 0.00 24 S 8.20 4.54 0.00 3.96 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 25 R 7.38 4.51 0.00 1.73 1.76 0.00 3.32 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 26 V 8.16 4.02 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 0.55 0.00 0.00 0.81 0.00 0.00 27 K 8.62 4.25 0.00 1.90 1.73 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.47 7.81 28 A 7.65 5.20 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 29 V 8.90 4.23 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 0.90 0.00 0.00 0.97 0.00 0.00 30 R 8.63 4.74 0.00 1.78 1.74 0.00 3.21 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 31 V 8.38 4.36 1.87 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 1.06 0.00 0.00 0.83 0.00 0.00 32 V 8.46 4.72 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 0.88 0.00 0.00 0.93 0.00 0.00 33 L 9.53 4.86 0.00 1.59 1.49 1.15 0.63 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 34 G 8.43 4.16 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 0.00 0.00 0.00 35 E 8.91 4.16 0.00 2.08 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 2.22 2.30 0.00 36 L 7.67 4.31 0.00 1.62 1.75 0.86 0.99 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 37 Q 7.96 4.26 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 38 D 8.42 4.67 0.00 2.64 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 39 V 7.62 4.34 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 0.69 0.00 0.00 0.83 0.00 0.00 40 A 8.38 4.14 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 41 E 8.61 3.51 0.00 1.80 1.67 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 1.47 1.97 0.00 42 D 7.95 4.46 0.00 2.93 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 43 I 7.60 3.66 2.00 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 1.41 0.81 0.90 0.00 0.00 44 V 7.58 3.55 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 1.09 0.00 0.00 0.91 0.00 0.00 45 K 8.13 4.15 0.00 1.84 1.80 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 46 F 8.72 4.45 0.00 3.27 3.26 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 47 A 9.15 4.15 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 48 M 8.09 3.65 0.00 1.63 2.20 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.27 0.00 49 E 8.28 4.00 0.00 1.92 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 2.34 2.59 0.00 50 Q 7.51 3.98 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 1.86 2.41 0.00 51 L 7.55 4.14 0.00 1.55 1.66 0.88 0.73 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 52 F 7.91 5.00 0.00 3.27 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 53 A 7.14 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.68 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 0.00 0.00 0.00 55 T 7.52 4.43 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 1.26 0.00 0.00 56 I 8.09 3.83 1.94 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 1.29 0.66 0.88 0.00 0.00 57 A 7.34 4.11 0.28 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 58 E 7.48 3.85 0.00 2.06 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 0.00 2.32 2.30 0.00 59 G 8.81 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 0.00 0.00 0.00 60 A 7.72 4.51 1.21 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 0.00 0.00 61 E 8.78 3.98 0.00 1.71 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 0.00 2.24 2.17 0.00 62 I 8.34 4.65 1.77 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 1.28 1.32 0.46 0.00 0.00 63 E 8.54 4.33 0.00 2.04 1.71 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 2.25 2.28 0.00 64 F 8.69 5.34 0.00 2.98 2.87 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 65 V 9.29 4.47 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 0.95 0.00 0.00 0.94 0.00 0.00 66 E 8.93 4.66 0.00 2.02 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 2.26 2.28 0.00 67 E 9.75 4.48 0.00 1.88 1.77 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 2.12 2.20 0.00 68 E 8.76 4.03 0.00 1.81 1.85 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 2.30 2.33 0.00 69 A 8.66 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.24 3.91 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 0.63 0.00 0.00 0.75 0.00 0.00 71 F 8.09 4.53 0.00 1.51 2.12 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 72 K 8.15 4.80 0.00 1.66 1.65 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 73 C 9.72 4.44 0.00 3.54 3.29 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 74 R 8.22 4.60 0.00 2.00 2.01 0.00 3.14 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 75 N 7.73 5.08 0.00 2.70 2.86 0.00 0.00 7.06 7.65 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 76 C 7.79 4.76 0.00 3.10 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 77 N 8.50 4.54 0.00 2.91 2.98 0.00 0.00 6.98 7.64 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 78 Y 7.64 4.97 0.00 3.03 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 79 E 8.84 5.27 0.00 1.89 1.78 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 2.31 2.29 0.00 80 W 8.71 5.07 0.00 3.18 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.67 4.71 0.00 1.75 1.72 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.42 7.81 82 L 8.42 4.27 0.00 1.89 1.87 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.20 4.11 0.00 1.76 1.82 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.07 7.81 84 E 8.75 4.71 0.00 2.03 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 2.32 2.39 0.00 85 V 8.11 4.33 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 86 K 7.94 4.40 0.00 1.76 1.83 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.09 7.81 87 D 7.79 4.72 0.00 3.08 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 88 K 8.07 4.16 0.00 1.94 1.84 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 *89 F 7.88 4.06 0.00 2.24 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 0.00 0.00 0.00 0.00 90 D 8.20 4.62 0.00 2.79 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 91 E 8.16 4.06 0.00 2.00 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 2.24 2.19 0.00 92 R 7.96 4.25 0.00 1.90 1.85 0.00 3.22 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 93 I 7.51 4.40 1.87 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 1.13 1.01 0.00 0.00 94 K 7.63 2.48 0.00 1.89 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 95 E 7.29 4.20 0.00 2.20 1.89 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 2.26 2.18 0.00 96 D 7.53 4.64 0.00 2.66 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 97 I 8.72 3.89 1.91 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 1.31 0.97 0.95 0.00 0.00 *98 H 8.41 4.33 0.00 2.83 3.07 0.00 7.18 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.80 4.50 0.00 3.23 3.18 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 0.00 100 I 8.07 3.14 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.09 0.92 0.00 0.00 101 P 0.00 4.30 0.00 2.27 2.31 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 102 E 7.82 4.15 0.00 2.41 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 2.26 2.29 0.00 103 V 8.29 3.72 1.73 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 0.85 0.00 0.00 -0.19 0.00 0.00 104 V 7.50 3.73 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 1.04 0.00 0.00 1.04 0.00 0.00 *105 H 7.79 4.21 0.00 3.05 2.97 0.00 7.25 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.66 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.07 4.65 0.00 3.10 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 0.00 108 L 7.74 4.65 0.00 1.69 1.49 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.05 4.56 1.17 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 0.00 0.00 0.00 0.00 0.00 110 C 8.75 4.66 0.00 2.88 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 0.00 111 P 0.00 4.19 0.00 2.02 2.05 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 112 K 8.11 4.16 0.00 1.77 1.72 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 113 C 8.59 4.72 0.00 2.97 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 0.00 114 G 8.58 4.62 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 0.00 115 S 7.50 3.08 0.00 3.96 3.92 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 0.00 116 H 8.03 4.60 0.00 3.13 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.31 4.72 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 5.09 0.00 3.11 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 0.00 119 E 8.74 4.62 0.00 1.93 1.89 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 2.19 2.24 0.00 120 V 8.19 4.34 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 0.92 0.00 0.00 1.12 0.00 0.00 121 V 7.87 3.80 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 0.89 0.00 0.00 0.96 0.00 0.00 122 K 7.75 4.52 0.00 1.81 1.78 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81 123 G 8.13 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 0.00 124 R 8.51 3.93 0.00 1.81 1.88 0.00 3.38 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 125 G 9.18 4.09 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 0.00 0.00 0.00 126 V 8.11 4.41 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 0.00 127 Y 7.80 4.77 0.00 3.06 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 0.00 128 V 8.61 3.52 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 0.83 0.00 0.00 0.95 0.00 0.00 129 A 8.49 4.47 1.29 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 0.00 0.00 130 G 7.34 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 0.00 0.00 0.00 131 I 8.35 4.45 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 1.31 0.73 0.92 0.00 0.00 132 K 8.67 4.43 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 133 I 7.96 4.74 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 1.30 0.85 0.91 0.00 0.00 134 E 8.47 4.63 0.00 1.88 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 2.18 2.32 0.00 135 K 8.65 4.72 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.39 7.81 136 E 8.45 4.71 0.00 1.91 1.68 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 0.00 2.12 1.85 0.00 137 G 9.00 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 0.00 0.00 0.00 0.00 138 G 8.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.