NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.7075 0.0000 0.0000 62.5365 33.5954 174.7713 12 V 4.7612 8.8020 114.5301 59.3303 36.0197 173.2164 13 L 5.1187 9.9954 123.7042 53.3419 45.0948 175.7266 14 L 5.1139 8.6982 121.1541 53.1771 44.4136 174.9743 15 K 4.8458 8.9720 126.4139 54.0820 34.8087 175.1620 16 S 3.9605 8.9548 123.7234 58.5169 62.5667 174.8815 17 T 3.8114 8.2143 118.8422 64.6714 68.6521 175.8989 18 E 4.0154 8.1771 122.0492 57.8938 29.9037 176.8265 19 T 4.3257 7.5089 105.9851 60.2938 70.2702 175.1697 20 G 3.7373 8.1452 109.8835 45.6470 0.0000 173.2318 21 Q 4.4360 7.3550 119.2808 55.1634 30.4518 174.7493 22 Y 4.9738 8.9845 121.4220 56.9030 39.4745 174.8826 23 L 4.6765 9.1570 126.1092 55.3596 43.8100 175.6566 24 R 5.1220 9.2536 125.5498 54.7771 33.4950 173.5495 25 I 4.8539 7.8818 126.2794 59.8367 38.3987 175.6473 26 N 4.5611 9.0236 125.4416 51.7398 39.4178 174.8028 27 P 4.1825 0.0000 0.0000 65.5438 31.4820 177.2453 28 D 4.5072 7.9610 115.1306 53.5939 39.7108 177.0807 29 G 4.3096 8.4400 110.5354 45.1324 0.0000 173.8665 30 T 4.5100 8.2023 110.4301 61.4915 70.4973 173.8058 31 V 4.9953 8.2331 122.2011 61.4848 34.4234 174.1438 32 D 4.8068 9.1134 126.1090 52.6596 42.9775 173.7879 33 G 4.5866 8.8432 105.3646 45.2237 0.0000 172.9682 34 T 4.8552 8.8994 115.2420 60.4221 71.2855 174.2746 35 R 4.4817 8.6628 124.6583 56.0826 30.5857 176.3187 36 D 4.6106 8.1533 120.0732 53.0625 40.0212 176.8574 37 R 3.6832 8.5492 127.3195 57.9010 30.3624 177.0087 38 S 4.6068 7.9530 111.0949 58.1340 63.2221 173.7005 39 D 4.3921 7.8145 121.0769 54.9953 41.1965 176.4382 40 Q 4.1591 8.5855 123.6962 57.6199 29.2979 176.1004 41 H 4.8151 8.9999 115.4273 55.3229 30.0846 174.4697 42 I 4.6469 7.5775 110.5898 60.0565 38.4446 175.3118 43 Q 4.4934 7.5840 121.8412 55.8530 29.8868 174.8951 44 F 5.3117 9.4724 122.1909 55.6387 43.3007 173.6708 45 Q 4.9234 9.4254 122.5260 54.5124 31.4795 174.1777 46 I 4.9412 8.4490 127.2494 59.9938 38.5775 175.1285 47 S 4.8992 8.7464 121.5765 55.6035 66.3693 171.9003 48 P 4.7891 0.0000 0.0000 62.7108 32.1693 175.6761 49 E 4.2538 9.0893 124.7608 54.5992 31.5190 175.4608 50 G 3.8929 8.7716 119.5375 46.7910 0.0000 173.5857 51 G 3.8712 8.8158 108.5646 46.2279 0.0000 174.1064 52 G 4.0371 8.0077 105.1481 44.6957 0.0000 171.9925 53 E 4.8926 7.6988 117.9703 54.8544 32.8103 175.1312 54 V 5.0529 8.7729 113.2048 59.8951 36.4624 174.8230 55 L 5.1076 9.0135 122.1238 53.2318 44.7953 176.0022 56 L 4.8008 8.7122 121.7022 53.2111 44.0060 174.9077 57 K 4.9181 9.0347 126.3642 54.0463 35.0607 175.1980 58 S 3.9922 8.9574 123.3749 58.5875 62.5652 174.9370 59 T 3.8807 8.3372 118.6706 64.6494 68.6374 175.8768 60 E 4.1480 8.1717 120.4634 57.6540 29.9680 177.0429 61 T 4.2905 7.7157 106.8257 60.4892 70.4391 175.4957 62 G 3.7539 8.1161 109.5097 45.3158 0.0000 173.3187 63 Q 4.3349 7.4972 118.8627 55.4978 30.4063 174.6980 64 Y 5.0463 8.8470 121.1511 56.7191 39.9932 174.9067 65 L 4.7389 9.0795 126.1855 55.3349 43.7329 175.6352 66 R 4.9493 9.2092 125.5476 54.7601 33.6086 173.5524 67 I 4.7800 8.1157 127.1498 59.7533 38.4343 175.7050 68 N 4.5340 9.1890 125.5952 51.8592 39.3521 174.5653 69 P 4.1687 0.0000 0.0000 65.8871 31.4166 177.3318 70 D 4.4822 7.9569 114.4035 53.7638 39.6502 177.0587 71 G 4.2261 8.5094 110.4401 45.0949 0.0000 173.7799 72 T 4.4431 8.1939 110.5438 61.5387 70.4165 173.7302 73 V 5.0633 8.2683 122.4466 61.4463 34.3936 174.1005 74 D 4.7853 9.0610 126.2066 52.5619 43.2191 173.7089 75 G 4.5969 8.8593 105.5713 45.1442 0.0000 173.0871 76 T 4.8343 8.8931 115.8369 60.3190 71.3507 174.1951 76A R 4.5505 8.5877 124.4626 56.0316 30.7303 176.2583 77 D 4.6034 8.2586 120.1545 53.0875 39.9208 176.9282 78 R 3.9001 8.4824 127.5389 58.3080 30.3146 177.3441 79 S 4.3717 8.2560 110.8746 59.0182 63.6783 174.1254 80 D 4.4164 7.8553 121.9557 54.9515 41.2898 175.6507 81 Q 4.6656 8.5094 124.1557 56.4519 29.2563 175.6233 82 H 4.7574 8.7708 113.2531 55.4882 29.6006 174.7353 83 I 4.8326 7.2594 110.8246 60.1157 38.5294 175.3715 84 Q 4.6346 7.6032 123.2222 55.2844 30.2602 174.6870 85 F 5.2960 9.3087 121.9098 55.7368 43.3690 173.8629 86 Q 4.9197 9.2203 120.4132 54.3383 31.4196 174.6823 87 I 4.8422 8.4270 124.5796 59.9892 38.7301 175.0422 88 S 4.8375 8.8418 122.5721 55.5778 65.2073 172.1766 89 P 4.7589 0.0000 0.0000 62.7821 31.7675 176.0079 90 E 4.4849 8.9941 120.8214 54.9281 30.9886 172.3464 91 G 3.7923 9.1047 116.3641 46.2523 0.0000 174.1084 92 G 3.8924 8.9980 112.0240 45.3886 0.0000 174.0960 93 G 3.9108 8.2734 105.1689 45.3149 0.0000 173.3750 94 E 5.0834 7.7779 118.1786 54.5362 32.9212 175.2784 95 V 5.0128 8.9455 114.5046 59.8876 36.6158 174.4815 96 L 5.1125 9.0777 122.2216 53.3160 44.7059 176.0426 97 L 5.0267 8.6991 121.4668 53.1859 44.1694 174.8519 98 K 4.7831 8.9956 126.5435 54.2593 34.5843 175.1166 99 S 4.0561 8.8835 123.9531 58.1506 62.5888 174.8987 100 T 3.7796 8.2704 118.7578 64.7296 68.6104 175.7791 101 E 3.9570 8.1543 122.3702 58.2279 29.7912 176.9460 102 T 4.3507 7.5258 104.9521 60.2714 70.1771 174.2272 103 G 3.6133 7.9319 110.5188 46.7059 0.0000 172.8978 *107 Q 4.7163 7.5806 117.0388 55.7965 30.6509 173.9094 108 Y 4.9264 8.9934 121.1439 56.7501 39.8949 174.8923 109 L 4.5289 9.0719 126.2586 55.3853 43.6905 175.6342 110 R 4.9769 9.3028 125.7839 54.6938 33.5764 173.5832 111 I 4.9469 8.0454 126.9844 59.7208 38.8357 175.5762 112 N 4.5774 9.0983 125.3041 51.6243 39.5225 174.7023 113 P 4.1754 0.0000 0.0000 65.5707 31.4688 177.2866 114 D 4.5060 7.9878 115.1309 53.5467 39.6782 177.1424 115 G 4.2569 8.5089 110.2854 45.1601 0.0000 173.7916 116 T 4.5278 8.1616 110.4730 61.4720 70.5398 173.7934 117 V 5.0462 8.1889 121.8951 61.4735 34.5389 174.0699 118 D 4.8026 9.1205 126.0349 52.7554 43.3228 173.7705 119 G 4.7797 8.8764 105.0514 44.7701 0.0000 172.7847 *123 T 4.8294 8.0944 115.0405 62.1169 68.7389 174.4687 123A R 4.3495 8.7083 124.2086 56.5419 30.8607 176.5936 124 D 4.5933 8.1694 119.6188 53.0806 39.8863 176.5884 125 R 3.5762 8.4807 127.3740 58.1604 30.2794 177.2610 126 S 4.3876 7.9378 110.6488 58.5316 64.0652 173.9974 127 D 4.3288 7.9634 123.0085 55.0555 41.2232 176.0318 128 Q 4.3253 8.5716 124.6003 56.4551 28.6557 175.7743 129 H 4.7592 8.9345 114.5022 55.5295 29.5060 175.0084 130 I 4.7175 7.1100 110.2405 59.9523 38.3587 175.5280 131 Q 4.5261 7.5522 121.7488 55.7730 29.9869 174.8560 132 F 5.2733 9.4836 122.0290 55.6397 43.5358 173.5364 133 Q 4.9181 9.3494 122.6168 54.5065 31.4324 174.1800 134 I 4.9237 8.4449 127.3484 59.9973 38.6990 175.1254 135 S 4.8188 8.8628 121.7987 55.5716 66.0218 171.8590 136 P 4.8029 0.0000 0.0000 62.5381 31.8776 176.2533 137 E 4.2039 8.4437 121.2991 56.4245 29.7616 175.7929 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 11 P 0.00 4.71 0.00 2.09 2.03 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 12 V 8.80 4.76 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 0.75 0.00 0.00 1.01 0.00 0.00 13 L 10.00 5.12 0.00 1.70 1.73 0.64 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.70 5.11 0.00 1.36 1.34 -0.17 0.74 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 15 K 8.97 4.85 0.00 1.81 1.62 0.00 1.18 0.00 0.00 1.34 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.05 0.60 7.81 16 S 8.95 3.96 0.00 3.46 3.66 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 0.00 0.00 0.00 0.00 17 T 8.21 3.81 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 1.18 0.00 0.00 18 E 8.18 4.02 0.00 1.85 1.88 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 2.17 2.27 0.00 19 T 7.51 4.33 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 1.21 0.00 0.00 20 G 8.15 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 0.00 0.00 0.00 21 Q 7.35 4.44 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 22 Y 8.98 4.97 0.00 3.11 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 23 L 9.16 4.68 0.00 1.88 1.65 1.03 0.54 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 24 R 9.25 5.12 0.00 1.98 2.08 0.00 3.20 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 25 I 7.88 4.85 1.77 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.91 0.00 0.00 26 N 9.02 4.56 0.00 2.94 2.65 0.00 0.00 6.57 8.73 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 27 P 0.00 4.18 0.00 1.99 2.09 0.00 3.50 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 28 D 7.96 4.51 0.00 2.76 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 29 G 8.44 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 0.00 0.00 0.00 0.00 30 T 8.20 4.51 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 1.26 0.00 0.00 31 V 8.23 5.00 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 0.97 0.00 0.00 1.02 0.00 0.00 32 D 9.11 4.81 0.00 2.97 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 33 G 8.84 4.59 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 0.00 0.00 0.00 34 T 8.90 4.86 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 1.34 0.00 0.00 35 R 8.66 4.48 0.00 1.87 1.98 0.00 3.25 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 36 D 8.15 4.61 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 3.68 0.00 1.86 1.90 0.00 3.30 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.28 0.00 38 S 7.95 4.61 0.00 3.99 3.89 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 39 D 7.81 4.39 0.00 2.78 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 40 Q 8.59 4.16 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.13 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 41 H 9.00 4.82 0.00 3.28 3.34 0.00 5.79 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 42 I 7.58 4.65 1.96 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.09 1.10 0.00 0.00 43 Q 7.58 4.49 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 44 F 9.47 5.31 0.00 3.05 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 45 Q 9.43 4.92 0.00 2.08 1.96 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 2.30 2.33 0.00 46 I 8.45 4.94 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.92 0.00 0.00 47 S 8.75 4.90 0.00 3.92 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 48 P 0.00 4.79 0.00 1.97 2.03 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 49 E 9.09 4.25 0.00 2.01 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 2.14 2.23 0.00 50 G 8.77 3.89 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 0.00 0.00 0.00 51 G 8.82 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 52 G 8.01 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 0.00 0.00 0.00 53 E 7.70 4.89 0.00 2.14 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 2.22 2.24 0.00 54 V 8.77 5.05 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 0.78 0.00 0.00 1.04 0.00 0.00 55 L 9.01 5.11 0.00 1.71 1.74 0.62 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.71 4.80 0.00 1.39 1.34 -0.22 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.03 4.92 0.00 1.89 1.63 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.99 0.34 7.81 58 S 8.96 3.99 0.00 3.54 3.64 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 0.00 0.00 0.00 0.00 59 T 8.34 3.88 4.17 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 1.17 0.00 0.00 60 E 8.17 4.15 0.00 1.87 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 2.17 2.29 0.00 61 T 7.72 4.29 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 1.19 0.00 0.00 62 G 8.12 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 0.00 0.00 0.00 63 Q 7.50 4.33 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 64 Y 8.85 5.05 0.00 3.13 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 65 L 9.08 4.74 0.00 2.00 1.63 1.04 0.46 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 66 R 9.21 4.95 0.00 1.99 2.07 0.00 3.22 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 67 I 8.12 4.78 1.82 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.94 0.00 0.00 68 N 9.19 4.53 0.00 2.91 2.67 0.00 0.00 6.56 7.68 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 69 P 0.00 4.17 0.00 2.00 2.11 0.00 3.53 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 70 D 7.96 4.48 0.00 2.76 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 71 G 8.51 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 72 T 8.19 4.44 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 1.27 0.00 0.00 73 V 8.27 5.06 2.31 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 1.01 0.00 0.00 1.02 0.00 0.00 74 D 9.06 4.79 0.00 2.96 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 75 G 8.86 4.60 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 0.00 0.00 0.00 76 T 8.89 4.83 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 1.40 0.00 0.00 76A R 8.59 4.55 0.00 1.86 1.96 0.00 3.25 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 77 D 8.26 4.60 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 3.90 0.00 1.85 1.95 0.00 2.96 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 79 S 8.26 4.37 0.00 4.00 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 80 D 7.86 4.42 0.00 2.77 2.64 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 0.00 0.00 0.00 0.00 81 Q 8.51 4.67 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 82 H 8.77 4.76 0.00 3.35 3.39 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.26 4.83 1.94 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 1.08 0.00 0.00 84 Q 7.60 4.63 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 85 F 9.31 5.30 0.00 2.86 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 86 Q 9.22 4.92 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 87 I 8.43 4.84 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.92 0.00 0.00 88 S 8.84 4.84 0.00 3.92 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 89 P 0.00 4.76 0.00 1.97 2.04 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 90 E 8.99 4.48 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 2.23 2.34 0.00 91 G 9.10 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 0.00 0.00 0.00 92 G 9.00 3.89 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 0.00 0.00 0.00 93 G 8.27 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 94 E 7.78 5.08 0.00 1.90 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 2.29 2.46 0.00 95 V 8.95 5.01 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 0.77 0.00 0.00 1.02 0.00 0.00 96 L 9.08 5.11 0.00 1.71 1.76 0.63 0.65 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 97 L 8.70 5.03 0.00 1.36 1.32 -0.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.00 4.78 0.00 1.76 1.65 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.63 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.10 0.72 7.81 99 S 8.88 4.06 0.00 3.56 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 0.00 100 T 8.27 3.78 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 1.17 0.00 0.00 101 E 8.15 3.96 0.00 1.82 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 1.88 2.22 0.00 102 T 7.53 4.35 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 1.23 0.00 0.00 103 G 7.93 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 *107 Q 7.58 4.72 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 108 Y 8.99 4.93 0.00 3.10 2.95 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 0.00 109 L 9.07 4.53 0.00 1.86 1.59 1.02 0.33 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 0.00 110 R 9.30 4.98 0.00 1.98 2.11 0.00 3.18 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 111 I 8.05 4.95 1.81 0.00 0.00 1.00 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 0.89 0.98 0.00 0.00 112 N 9.10 4.58 0.00 2.85 2.65 0.00 0.00 6.56 7.69 0.00 0.00 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 P 0.00 4.18 0.00 2.00 2.10 0.00 3.55 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 114 D 7.99 4.51 0.00 2.76 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 0.00 115 G 8.51 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 0.00 0.00 0.00 0.00 116 T 8.16 4.53 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 1.25 0.00 0.00 117 V 8.19 5.05 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 0.98 0.00 0.00 1.02 0.00 0.00 118 D 9.12 4.80 0.00 2.97 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 0.00 119 G 8.88 4.78 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 0.00 0.00 0.00 *123 T 8.09 4.83 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 1.34 0.00 0.00 123A R 8.71 4.35 0.00 1.89 2.01 0.00 3.27 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 124 D 8.17 4.59 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.48 3.58 0.00 1.82 1.89 0.00 3.34 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.03 0.00 126 S 7.94 4.39 0.00 4.01 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 0.00 127 D 7.96 4.33 0.00 2.88 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 0.00 128 Q 8.57 4.33 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 129 H 8.93 4.76 0.00 3.31 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.11 4.72 2.04 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 1.03 0.00 0.00 131 Q 7.55 4.53 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 132 F 9.48 5.27 0.00 2.95 2.86 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 0.00 133 Q 9.35 4.92 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 134 I 8.44 4.92 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.92 0.00 0.00 135 S 8.86 4.82 0.00 3.91 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 0.00 136 P 0.00 4.80 0.00 1.97 2.05 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 137 E 8.44 4.20 0.00 1.99 1.91 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 2.22 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.