NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3151 8.2649 123.5829 51.7502 19.9196 176.7873 2 D 4.4648 8.4338 121.7414 53.6532 41.6119 175.2088 3 Q 4.1461 9.4326 121.5540 58.1481 29.9276 176.2587 4 L 5.0717 7.5262 114.8539 52.5833 45.5444 176.5470 5 T 4.3617 8.7397 117.1131 63.0056 70.7013 176.2825 6 E 4.0134 8.5759 122.4437 59.4086 29.6614 179.2240 7 E 3.8771 8.1303 118.9733 59.4812 29.7637 178.7277 8 Q 3.6331 7.9482 117.6950 58.8187 28.7146 178.8180 9 I 4.0063 7.7203 113.9437 63.9840 37.7704 178.2036 10 A 4.0907 8.1122 122.5678 54.6875 18.1576 179.4944 11 E 4.0901 7.9547 116.9202 59.8184 29.5399 179.6318 12 F 4.9783 8.0800 117.7106 60.6081 38.9587 177.9620 13 K 3.7731 8.8876 118.8816 59.2831 31.5640 179.2327 14 E 3.9890 7.9998 117.2349 59.3513 29.7407 178.9039 15 A 4.3120 8.3528 120.7607 55.3041 18.5607 179.2147 16 F 3.5459 8.8816 119.5845 61.7242 39.1175 177.6083 17 S 4.1433 8.1496 113.3621 61.2672 62.5960 176.1260 18 L 4.0004 7.5895 122.7282 57.9401 41.8373 178.6930 19 F 4.2580 7.8644 116.5869 59.5926 40.6073 176.5476 20 D 4.4665 7.6658 119.4494 52.8860 37.8630 176.4243 21 K 3.8877 8.0189 122.5979 58.6748 32.6883 177.7777 22 D 4.5758 8.2986 115.4714 52.4751 39.6466 176.5843 23 G 3.9226 7.8474 107.4713 46.9770 0.0000 174.3038 24 D 4.5290 8.2196 116.8165 52.9570 39.5003 177.2932 25 G 4.1879 9.7627 109.9303 45.6454 0.0000 172.8852 26 T 5.1071 8.2326 108.2346 59.9158 72.2972 173.2225 27 I 4.9741 9.0425 124.2313 59.1774 39.6982 175.5427 28 T 4.7703 8.4947 117.0079 60.3047 71.4268 175.7698 29 T 3.8439 8.5853 112.3116 65.0028 68.4499 176.2142 30 K 3.8976 8.0595 120.7820 59.2961 32.1825 178.8129 31 E 3.9368 8.2056 118.4684 59.4822 29.3439 179.2058 32 L 4.3203 8.3393 120.6220 58.2431 42.0024 179.3093 33 G 3.6099 8.2944 105.6885 47.9994 0.0000 175.8959 34 T 3.8582 7.9266 118.1416 66.3386 68.2564 176.9974 35 V 3.4784 7.3675 118.4141 66.2835 31.8636 177.6185 36 M 4.2380 8.3550 118.6945 58.5306 31.8022 179.0388 37 R 4.5730 8.5543 119.9860 58.7571 30.0263 179.0042 38 S 4.1608 7.9324 113.1251 61.1041 62.7287 175.7068 39 L 4.4922 7.6798 119.6678 54.1798 41.7813 177.2619 40 G 3.9546 8.1650 107.7024 45.1213 0.0000 173.2494 41 Q 4.6605 7.8321 118.8134 54.1272 30.9566 174.8675 42 N 5.2646 8.3775 120.2656 50.7444 38.6084 172.1800 43 P 4.6298 0.0000 0.0000 62.1856 33.0471 177.7214 44 T 4.2466 9.4496 111.1862 61.1303 70.9524 175.2726 45 E 3.9465 8.7186 121.4004 59.2011 29.6350 178.8425 46 A 3.9793 7.9203 120.4834 55.2065 18.6973 179.2797 47 E 3.9255 7.9725 116.7403 59.4671 29.4725 179.4971 48 L 3.9898 7.8898 119.0306 57.9744 41.7095 179.3602 49 Q 3.9536 8.2097 119.3178 59.4255 28.9707 178.1693 50 D 4.4503 8.0804 119.5830 57.5118 40.5629 178.7483 51 M 4.0826 7.7676 118.3128 58.3013 32.3436 178.4808 52 I 3.8523 7.9622 120.1101 64.5689 37.0805 178.2705 53 N 4.3708 8.6232 117.6883 56.2380 38.0933 177.0501 54 E 4.0231 8.1596 119.9556 58.3469 29.7461 177.9805 55 V 4.2172 7.3903 115.4639 62.4564 34.2579 176.2815 56 D 4.6210 7.4743 118.1264 52.7943 38.1034 175.8769 57 A 4.0053 8.0728 125.8054 54.2053 18.9936 178.4557 58 D 4.5728 8.3144 112.9400 52.8017 40.1678 177.5375 59 G 3.9073 8.1660 107.9411 46.1067 0.0000 174.1152 60 N 4.4826 8.4614 115.7761 53.2103 37.6231 176.0955 61 G 4.0321 9.1220 108.6261 45.1001 0.0000 173.1462 62 T 4.8609 7.6034 107.7816 59.7958 72.4779 172.9951 63 I 5.3838 8.9503 122.7462 58.7799 40.2930 174.9241 64 D 5.4601 8.7779 128.7535 51.3769 42.0768 177.1729 65 F 3.5109 8.5050 119.3092 60.6038 39.2036 174.9760 66 P 3.9779 0.0000 0.0000 65.4648 31.2049 178.3139 67 E 3.8879 8.7335 117.6039 59.3947 29.4018 179.0841 68 F 4.0762 8.4071 120.6893 61.4198 39.3285 177.1925 69 L 3.6845 7.9583 118.8882 57.8600 41.2767 179.5775 70 T 3.7190 7.6123 115.6528 66.6689 68.3594 176.3911 71 M 3.8214 7.6677 119.7862 58.9305 32.2891 178.0604 72 M 3.5553 7.4284 118.5424 57.9734 31.8357 178.4031 73 A 3.9560 7.8519 121.0830 55.3769 18.5710 179.7566 74 R 3.7654 7.6330 116.4862 59.3340 30.1802 178.4219 75 K 3.8197 8.3171 119.9207 59.6849 32.0677 178.3270 76 M 4.0519 8.5002 118.5701 58.6997 32.2135 178.2694 77 K 3.9824 8.0076 118.5811 59.7214 32.1978 179.1085 78 D 4.3729 8.2660 119.0660 57.5384 40.6887 179.0294 79 T 3.8834 8.0982 116.2918 66.6399 68.5019 176.2665 80 D 4.3749 8.4714 121.1946 57.5894 40.9313 178.5927 81 S 4.2583 8.1845 113.3836 61.9777 62.3177 176.3860 82 E 4.1555 8.3566 120.8778 59.3544 29.1925 179.1928 83 E 4.0271 8.4412 118.8159 59.4843 29.4900 179.2641 84 E 4.0810 8.3638 118.6299 59.5479 29.6381 179.5302 85 I 4.0388 8.0455 119.9766 64.3180 37.1802 178.4868 86 R 4.2186 8.4840 119.8005 59.2203 29.9203 178.3636 87 E 3.9925 8.4858 118.3372 59.4778 29.6710 179.0181 88 A 4.1858 7.9998 120.2930 55.3825 18.4788 179.4627 89 F 3.2901 8.1816 118.7276 61.3199 39.1913 177.6314 90 R 3.9523 8.1340 116.7165 59.0627 29.8644 178.8687 91 V 3.6819 7.4885 117.3915 66.0846 31.5915 177.8706 92 F 4.1742 7.9080 116.0000 59.0956 39.7246 175.7896 93 D 4.6305 7.5309 119.3708 52.2180 39.5883 176.4351 94 K 3.8505 8.2467 126.1527 58.9669 32.6077 177.3553 95 D 4.5904 8.2013 114.7867 52.6055 39.4035 176.1657 96 G 4.0199 7.6960 106.7937 46.9600 0.0000 173.9111 97 N 4.6473 8.4386 114.2198 52.0792 37.5008 176.2240 98 G 3.9156 8.7454 107.4045 45.9712 0.0000 172.8300 99 Y 5.2969 7.5963 115.9377 56.2142 41.6619 174.8963 100 I 4.5657 9.0759 124.4556 60.1064 39.1981 176.1708 101 S 4.8696 9.2558 122.6595 57.2303 65.1749 175.3419 102 A 3.9681 8.7693 120.5538 55.4627 18.0768 179.4291 103 A 3.9499 8.0618 118.6820 55.4781 18.3569 179.6324 104 E 3.9365 8.2169 116.8727 59.3930 29.5270 179.2456 105 L 4.1501 8.0318 120.4471 58.1877 42.1743 179.0427 106 R 3.9045 8.3021 118.8874 59.6578 29.8372 177.8885 107 H 4.0885 8.0540 116.9052 59.2454 30.1451 177.1801 108 V 3.5472 7.9506 119.9713 66.1939 31.3223 177.6381 109 M 4.0281 8.3117 118.8634 59.0567 31.8641 178.7989 110 T 4.0409 7.7920 116.8195 66.1202 68.4135 176.1514 111 N 4.4250 7.9065 116.5742 55.2674 38.8062 175.7484 112 L 4.3460 7.7636 116.6481 54.5195 41.7582 177.0889 113 G 3.9140 8.2377 106.3041 45.3049 0.0000 172.7919 114 E 4.6611 8.1376 119.0454 53.9616 33.1113 174.5722 *116 L 4.3078 8.1287 118.2653 54.9573 42.7586 177.8831 117 T 4.2636 8.9283 113.6538 61.2352 71.0213 175.5485 118 D 4.3587 8.5629 120.5538 57.5041 40.8423 178.7590 119 E 3.9477 8.0967 119.4079 59.2995 29.7354 178.5927 120 E 4.0229 8.1414 118.3719 59.2783 29.4975 179.4940 121 V 3.6500 8.0653 118.5188 66.0346 31.5936 177.7859 122 D 4.3820 8.3294 118.8150 57.2481 40.5903 178.5031 123 E 3.9060 8.1151 119.3962 59.5588 29.1815 178.6913 124 M 4.0579 8.0318 118.7296 58.4336 32.0367 178.7724 125 I 3.7480 7.9189 119.7842 64.6518 37.1375 178.5604 126 R 3.9529 7.7155 117.3034 59.3959 29.9384 178.3334 127 E 4.0288 8.1002 117.9330 58.7435 29.7298 177.9399 128 A 4.5311 7.4650 117.4545 52.1749 21.3152 177.9222 129 D 4.7537 7.8103 118.7409 52.7370 37.9522 176.0909 130 I 3.6763 7.7921 123.8267 63.8703 37.7390 176.8641 131 D 4.6888 8.3810 116.8705 52.1540 39.5163 176.6250 132 G 3.9837 7.6084 107.2837 47.1515 0.0000 173.9493 133 D 4.5602 8.6396 115.8200 52.5883 39.8133 177.6531 134 G 3.9209 10.0023 107.5930 46.1357 0.0000 173.0128 135 Q 4.6401 7.6860 116.4450 54.6950 33.8054 173.8189 136 V 4.7365 8.8481 120.4231 61.6183 33.7236 175.0204 137 N 5.4079 9.3658 126.9220 51.3602 40.0181 175.4185 138 Y 3.3997 8.2853 118.0345 60.6252 38.7618 177.1428 139 E 3.8326 8.2424 119.7655 59.5373 29.7923 178.5979 140 E 3.9658 9.0783 118.8152 59.2238 29.5344 178.8035 141 F 4.0821 8.8624 121.4006 61.5098 39.1947 177.5474 142 V 3.2008 7.9012 117.8646 65.9504 31.1326 177.7701 143 Q 3.9403 7.6914 119.2751 58.7845 28.8663 177.7017 144 M 4.0809 7.6640 118.5039 58.6376 32.3110 177.7981 145 M 3.9326 7.3243 118.0060 56.6205 32.2657 176.6310 146 T 4.3639 6.9348 109.4028 59.4975 70.5984 173.9175 147 A 4.2764 8.3667 128.5589 51.9303 19.2482 177.4185 148 K 4.0865 8.3115 120.6566 57.3984 32.1548 175.5697 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 A 8.26 4.32 1.27 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 0.00 0.00 0.00 2 D 8.43 4.46 0.00 2.89 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 3 Q 9.43 4.15 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 4 L 7.53 5.07 0.00 1.70 1.76 1.17 1.16 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 5 T 8.74 4.36 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 6 E 8.58 4.01 0.00 2.01 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 2.42 2.37 0.00 7 E 8.13 3.88 0.00 2.00 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 2.50 2.38 0.00 8 Q 7.95 3.63 0.00 2.33 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 9 I 7.72 4.01 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 1.08 0.00 0.00 10 A 8.11 4.09 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 11 E 7.95 4.09 0.00 1.92 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 0.00 2.29 2.39 0.00 12 F 8.08 4.98 0.00 3.52 3.40 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 13 K 8.89 3.77 0.00 2.02 1.75 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.72 0.66 7.81 14 E 8.00 3.99 0.00 2.24 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 0.00 2.37 2.51 0.00 15 A 8.35 4.31 1.84 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 16 F 8.88 3.55 0.00 2.81 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 17 S 8.15 4.14 0.00 4.09 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 18 L 7.59 4.00 0.00 1.56 1.83 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.86 4.26 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 20 D 7.67 4.47 0.00 2.09 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 21 K 8.02 3.89 0.00 1.75 1.83 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.34 7.81 22 D 8.30 4.58 0.00 2.79 2.75 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 23 G 7.85 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 0.00 0.00 0.00 24 D 8.22 4.53 0.00 2.83 2.80 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 25 G 9.76 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 26 T 8.23 5.11 4.31 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 1.29 0.00 0.00 27 I 9.04 4.97 1.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 1.32 0.89 0.00 0.00 28 T 8.49 4.77 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 29 T 8.59 3.84 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 30 K 8.06 3.90 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.55 7.81 31 E 8.21 3.94 0.00 2.22 2.22 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 2.31 2.31 0.00 32 L 8.34 4.32 0.00 1.81 1.90 1.11 1.33 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 33 G 8.29 3.61 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 0.00 0.00 0.00 34 T 7.93 3.86 4.38 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 1.18 0.00 0.00 35 V 7.37 3.48 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 0.47 0.00 0.00 0.58 0.00 0.00 36 M 8.36 4.24 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.04 0.00 37 R 8.55 4.57 0.00 2.04 1.97 0.00 3.15 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 38 S 7.93 4.16 0.00 3.99 4.15 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 39 L 7.68 4.49 0.00 1.81 1.74 0.93 0.90 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 40 G 8.16 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 0.00 0.00 0.00 41 Q 7.83 4.66 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 42 N 8.38 5.26 0.00 2.64 2.73 0.00 0.00 7.13 8.02 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 43 P 0.00 4.63 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.74 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 44 T 9.45 4.25 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 45 E 8.72 3.95 0.00 2.10 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 2.38 2.45 0.00 46 A 7.92 3.98 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 47 E 7.97 3.93 0.00 2.16 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 2.33 2.35 0.00 48 L 7.89 3.99 0.00 1.91 1.74 1.01 1.04 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 49 Q 8.21 3.95 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.08 4.45 0.00 2.90 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 51 M 7.77 4.08 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 52 I 7.96 3.85 1.98 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 1.73 1.22 0.96 0.00 0.00 53 N 8.62 4.37 0.00 2.85 2.86 0.00 0.00 6.69 7.39 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 54 E 8.16 4.02 0.00 2.23 1.95 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 2.30 2.30 0.00 55 V 7.39 4.22 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 0.86 0.00 0.00 0.86 0.00 0.00 56 D 7.47 4.62 0.00 3.03 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 57 A 8.07 4.01 1.27 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 0.00 0.00 0.00 58 D 8.31 4.57 0.00 2.79 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 59 G 8.17 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 0.00 0.00 0.00 60 N 8.46 4.48 0.00 2.87 2.95 0.00 0.00 7.15 6.48 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 61 G 9.12 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 0.00 0.00 0.00 62 T 7.60 4.86 4.39 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 1.23 0.00 0.00 63 I 8.95 5.38 1.93 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.21 0.94 0.00 0.00 64 D 8.78 5.46 0.00 2.91 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 65 F 8.50 3.51 0.00 1.96 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 66 P 0.00 3.98 0.00 2.14 2.00 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 67 E 8.73 3.89 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 2.32 2.44 0.00 68 F 8.41 4.08 0.00 3.29 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 69 L 7.96 3.68 0.00 1.49 1.46 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.61 3.72 4.31 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 1.14 0.00 0.00 71 M 7.67 3.82 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 72 M 7.43 3.56 0.00 0.51 0.94 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 73 A 7.85 3.96 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 74 R 7.63 3.77 0.00 1.81 1.97 0.00 3.06 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 75 K 8.32 3.82 0.00 1.70 1.87 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 76 M 8.50 4.05 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 77 K 8.01 3.98 0.00 2.05 1.85 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.54 7.81 78 D 8.27 4.37 0.00 2.77 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 79 T 8.10 3.88 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 1.24 0.00 0.00 80 D 8.47 4.37 0.00 2.86 2.75 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 81 S 8.18 4.26 0.00 3.91 4.18 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 82 E 8.36 4.16 0.00 2.28 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 2.40 2.55 0.00 83 E 8.44 4.03 0.00 2.21 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 2.35 2.71 0.00 84 E 8.36 4.08 0.00 2.23 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 0.00 2.38 2.59 0.00 85 I 8.05 4.04 2.23 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 1.48 1.42 1.08 0.00 0.00 86 R 8.48 4.22 0.00 2.27 2.07 0.00 2.21 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 87 E 8.49 3.99 0.00 2.35 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 2.37 2.55 0.00 88 A 8.00 4.19 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 0.00 0.00 0.00 0.00 0.00 89 F 8.18 3.29 0.00 2.98 3.17 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 90 R 8.13 3.95 0.00 2.09 2.00 0.00 3.24 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 91 V 7.49 3.68 2.22 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 0.64 0.00 0.00 0.93 0.00 0.00 92 F 7.91 4.17 0.00 2.78 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 93 D 7.53 4.63 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 0.00 0.00 0.00 94 K 8.25 3.85 0.00 1.72 1.79 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.40 7.81 95 D 8.20 4.59 0.00 2.83 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 96 G 7.70 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 0.00 0.00 0.00 97 N 8.44 4.65 0.00 2.90 2.98 0.00 0.00 6.87 8.26 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 98 G 8.75 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 0.00 0.00 0.00 99 Y 7.60 5.30 0.00 2.96 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 0.00 100 I 9.08 4.57 1.90 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.18 0.97 0.00 0.00 101 S 9.26 4.87 0.00 3.91 4.04 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 0.00 102 A 8.77 3.97 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 0.00 103 A 8.06 3.95 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 0.00 104 E 8.22 3.94 0.00 2.32 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 2.31 2.31 0.00 105 L 8.03 4.15 0.00 1.95 1.98 1.19 0.88 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 0.00 106 R 8.30 3.90 0.00 2.08 1.94 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 107 H 8.05 4.09 0.00 3.26 3.48 0.00 6.00 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.95 3.55 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 0.29 0.00 0.00 0.81 0.00 0.00 109 M 8.31 4.03 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.01 0.00 110 T 7.79 4.04 4.36 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 1.17 0.00 0.00 111 N 7.91 4.42 0.00 2.75 2.79 0.00 0.00 7.03 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 0.00 112 L 7.76 4.35 0.00 1.75 1.69 0.90 0.95 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 0.00 113 G 8.24 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 0.00 0.00 0.00 114 E 8.14 4.66 0.00 2.11 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 0.00 2.22 2.40 0.00 *116 L 8.13 4.31 0.00 1.68 1.66 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.93 4.26 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 0.00 118 D 8.56 4.36 0.00 2.72 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 0.00 119 E 8.10 3.95 0.00 2.00 1.95 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 2.38 2.35 0.00 120 E 8.14 4.02 0.00 2.24 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 2.34 2.32 0.00 121 V 8.07 3.65 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 1.12 0.00 0.00 0.99 0.00 0.00 122 D 8.33 4.38 0.00 2.94 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 0.00 123 E 8.12 3.91 0.00 2.30 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 2.31 2.35 0.00 124 M 8.03 4.06 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 125 I 7.92 3.75 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.22 1.00 0.00 0.00 126 R 7.72 3.95 0.00 2.05 2.01 0.00 3.17 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 127 E 8.10 4.03 0.00 2.17 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 2.31 2.33 0.00 128 A 7.46 4.53 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 0.00 129 D 7.81 4.75 0.00 3.00 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 0.00 130 I 7.79 3.68 1.89 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 1.47 0.84 0.92 0.00 0.00 131 D 8.38 4.69 0.00 2.80 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 0.00 132 G 7.61 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 0.00 133 D 8.64 4.56 0.00 2.71 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 0.00 134 G 10.00 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 0.00 0.00 0.00 135 Q 7.69 4.64 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 136 V 8.85 4.74 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 1.21 0.00 0.00 1.02 0.00 0.00 137 N 9.37 5.41 0.00 2.82 3.19 0.00 0.00 6.47 8.06 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 0.00 138 Y 8.29 3.40 0.00 2.33 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 0.00 139 E 8.24 3.83 0.00 2.10 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 2.37 2.40 0.00 140 E 9.08 3.97 0.00 2.27 2.16 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 2.45 2.46 0.00 141 F 8.86 4.08 0.00 3.34 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 0.00 142 V 7.90 3.20 1.95 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 0.78 0.00 0.00 0.26 0.00 0.00 143 Q 7.69 3.94 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 144 M 7.66 4.08 0.00 1.85 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 145 M 7.32 3.93 0.00 1.79 1.99 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 146 T 6.93 4.36 4.18 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 1.15 0.00 0.00 147 A 8.37 4.28 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 0.00 148 K 8.31 4.09 0.00 1.81 1.70 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.