NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8030 8.3501 109.7386 45.3837 0.0000 172.2585 0 A 4.0826 8.5145 124.2215 51.6415 18.5625 175.5027 1 M 4.9746 8.5969 121.6534 53.8172 37.3875 173.4782 2 G 4.2946 8.9528 107.6321 44.3731 0.0000 172.2076 3 I 4.4823 8.3746 123.3385 61.1054 37.3450 175.9918 4 V 4.1814 8.9177 126.8190 63.8643 33.0441 175.7589 5 G 4.2875 7.4520 104.1276 46.2344 0.0000 172.6282 6 V 5.0920 7.9599 120.0561 61.1887 35.7649 174.2940 7 G 4.3370 8.8726 111.9703 45.0203 0.0000 171.5882 8 I 5.2477 8.3322 123.5854 59.2082 41.4465 173.8674 9 D 4.7995 9.0923 126.7397 52.7028 44.9264 173.3912 10 L 5.0119 8.6554 127.0098 53.2849 44.8735 175.6094 11 V 4.4163 8.8659 125.2990 60.8035 34.6864 174.6497 12 S 4.5686 8.8278 123.6578 58.5582 62.7881 174.7682 13 I 3.7750 8.9731 130.2202 64.0786 36.6540 176.7064 14 P 4.2525 0.0000 0.0000 65.7518 31.2160 178.4339 15 D 4.3600 8.0782 117.3212 57.0731 40.6544 178.5679 16 F 3.9548 8.4004 121.1753 61.2644 39.2947 177.0886 17 A 3.8964 8.3426 120.6037 55.0879 17.8632 179.5262 18 E 3.8169 7.5889 116.4033 59.3402 29.6452 178.8723 19 Q 4.0926 7.3622 116.2872 57.4892 29.1474 178.2528 20 V 2.0000 6.6788 119.9015 63.3862 32.4881 176.8040 21 D 4.5087 7.2149 119.6581 52.2607 39.7671 173.8824 22 Q 4.5177 7.4987 119.5628 52.7468 32.6489 173.5906 23 P 4.4029 0.0000 0.0000 63.6817 31.9413 176.6398 24 G 3.8683 8.7201 108.8324 46.3000 0.0000 173.5671 25 T 4.4629 7.1520 110.2732 59.6466 70.7472 176.1595 26 V 3.6314 8.0652 121.1478 64.7966 31.0044 178.2485 27 F 4.0889 7.2956 117.6281 60.5785 38.5883 177.5073 28 A 4.2198 7.7134 118.0960 54.6912 18.2234 178.6749 29 E 4.2396 7.7486 114.9302 57.6133 29.8917 177.1580 30 T 4.2571 7.5485 114.2992 63.8437 70.5247 174.4973 31 F 5.3575 7.9990 118.5665 55.2442 42.0005 176.0277 32 T 4.1718 8.6406 114.3870 61.0418 70.6448 173.7168 33 P 4.3452 0.0000 0.0000 66.0928 31.3621 179.1849 34 G 3.6054 8.0419 103.6592 47.8859 0.0000 175.4068 35 E 4.0003 8.1676 121.1093 59.2679 29.2369 179.7511 36 R 3.8919 7.9916 117.2010 58.8447 30.4009 179.0987 37 R 3.9872 8.0295 118.0015 59.2738 30.1431 178.3725 38 D 4.3251 7.9847 118.4571 57.6863 40.7551 179.1037 39 A 4.1250 7.7912 118.4983 54.1946 18.4240 178.9924 40 S 4.6500 7.6174 112.3956 58.7895 62.7246 173.2386 41 D 4.6260 7.7728 121.9918 52.4545 40.3883 176.7504 42 K 3.9901 8.5655 127.4000 59.3498 32.6668 177.9393 43 S 4.4856 7.9013 112.1757 58.2670 63.3077 174.8688 44 S 4.4721 7.9293 117.7302 58.1779 65.2292 174.8531 45 S 4.1922 8.4670 115.7966 61.0070 62.2107 175.9555 46 A 4.0013 7.9761 123.1637 54.9690 18.1329 179.2809 47 A 3.9760 8.1570 119.3947 55.0697 18.3111 179.6735 48 R 3.6494 7.4919 115.8812 60.0806 30.0918 178.5732 49 H 4.1497 7.9429 115.7817 58.6386 28.7281 177.5741 50 L 3.7598 7.8422 121.9737 57.9155 41.7968 178.8875 51 A 2.6990 7.5188 120.5168 54.6722 18.2424 179.5133 52 A 3.9919 7.6207 119.4136 55.3123 18.4349 180.1211 53 R 3.9896 8.2700 116.8266 59.0834 30.1542 179.1373 54 W 4.3407 8.5266 128.1646 60.3627 30.7273 177.9119 55 A 4.3779 8.8609 122.3849 54.5030 17.7467 179.4569 56 A 3.8585 8.0705 119.1290 55.2751 18.5138 179.5902 57 K 3.6451 7.9043 118.0965 59.8400 32.0651 178.7793 58 E 3.6716 7.9016 118.4200 59.1082 29.3254 179.1191 59 A 3.9469 8.1097 121.0704 55.0841 18.4113 179.8955 60 V 3.5306 7.9446 116.8910 66.1472 31.6268 178.2992 61 I 3.6966 7.7896 119.6023 64.3351 37.0483 178.5368 62 K 4.0050 8.2897 119.1530 59.4854 31.7699 179.2552 63 A 4.3037 8.0533 122.3796 54.2540 18.2287 179.5527 64 W 4.1010 8.3212 126.8822 60.6844 30.6904 178.6367 65 S 3.9806 8.8574 114.3551 61.4484 62.3851 175.4352 66 G 3.8286 7.9463 106.5714 45.5495 0.0000 172.9635 67 S 4.6872 7.7899 115.9116 55.8536 65.3610 174.9600 68 R 3.8081 8.3128 113.0060 56.6850 28.6919 176.0739 69 F 4.5211 7.1854 117.7097 56.4299 39.6192 175.3716 70 A 3.9176 8.3169 127.4816 52.2217 21.6965 177.1028 *79 I 3.9015 8.3874 125.7733 60.8494 37.0725 173.1339 *80 H 4.4853 7.9482 121.3375 56.3140 29.1689 179.3113 81 R 4.3605 7.7962 113.7817 57.6339 29.4838 181.8354 82 D 5.2118 7.6337 117.1266 55.2061 42.4057 175.7304 83 I 4.5888 7.1885 119.9134 59.2560 38.9924 174.7377 84 E 4.6740 9.1000 128.1568 54.1648 32.9078 174.4605 85 V 4.8071 8.4530 125.6092 61.1763 33.2306 174.6177 86 V 4.6736 9.0193 128.2271 61.3085 34.5486 174.4322 87 T 5.3741 8.4443 118.1528 60.1633 71.3176 174.5185 *92 R 4.1497 8.2199 119.6283 55.2513 30.9591 173.8767 93 P 4.9515 0.0000 0.0000 63.0879 31.9974 176.1863 94 R 4.7047 10.0079 124.0564 54.2750 33.7824 174.6595 95 V 4.7357 8.3483 122.2546 61.3075 33.3715 174.8503 96 R 4.6878 8.9802 126.9586 54.3721 32.8691 174.8160 97 L 5.2941 8.5719 123.2132 53.2322 44.5557 175.4444 98 T 4.5658 8.6246 111.1787 59.3457 72.7105 175.3793 99 G 3.8438 8.9289 110.4241 46.1745 0.0000 175.2137 100 A 4.1679 8.7521 122.1353 55.5751 18.1877 179.2838 101 I 3.6675 7.7502 115.7494 63.9151 37.8251 177.4566 102 A 3.9788 7.4457 120.6934 55.6368 18.2660 179.2528 103 E 4.0786 7.9482 115.2803 59.5958 29.2840 179.0482 104 Y 4.2055 7.8843 115.5241 60.7181 38.1933 178.2370 105 L 4.4006 7.8843 117.6046 54.3199 42.0447 178.1404 106 A 3.9701 7.4971 125.2666 55.0495 18.2806 179.2614 107 D 4.9611 8.0012 113.1695 54.0346 41.5502 175.6432 108 V 4.5867 7.7262 119.1950 61.4463 33.8392 174.8312 109 T 4.4565 9.0148 124.8792 62.4728 70.2303 173.6036 110 I 4.6494 8.2573 126.8538 59.8418 39.4121 174.5112 111 H 5.0881 8.9833 124.7480 53.8981 31.0991 173.8603 112 V 5.0365 8.3658 121.8600 60.0959 34.7047 174.7922 113 S 4.8291 9.0437 116.7199 56.6708 66.0075 172.5247 114 L 5.4310 8.3041 125.2092 54.7016 43.9268 175.0075 115 T 4.6426 8.4952 111.8627 61.6449 71.1783 171.9408 116 H 5.3058 8.3502 121.0522 53.8438 31.7291 172.6635 117 E 4.4632 9.3700 123.3683 55.4023 33.5143 176.9336 118 G 3.9441 9.2201 116.9097 47.0880 0.0000 173.8342 119 D 4.6051 9.1378 127.0221 55.4922 42.0560 175.5555 120 T 5.1880 8.2300 116.2961 61.5636 72.4672 172.8839 121 A 5.3076 8.8517 126.3349 50.4649 22.5857 175.0630 122 A 5.2420 9.0413 119.9760 50.9755 23.3107 175.2888 123 A 5.2763 8.8840 120.4255 50.5732 23.4522 175.7590 124 V 4.9879 8.8716 118.6712 59.8565 35.1859 174.4592 125 A 5.3134 9.2039 124.3559 50.3060 22.8001 174.9137 126 I 5.0318 8.9560 121.8968 59.5757 40.9095 174.5659 127 L 5.1167 8.9856 127.6496 53.5914 43.7711 175.4224 128 E 5.2614 8.9242 122.5604 54.8941 33.6042 173.8085 129 A 4.9873 8.9982 125.8106 49.8836 23.3910 174.8241 130 P 4.5258 0.0000 0.0000 63.1793 31.3146 176.3564 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 G 8.35 3.80 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 0.00 0.00 0.00 0 A 8.51 4.08 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 1 M 8.60 4.97 0.00 1.88 2.02 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 2.51 2.59 0.00 2 G 8.95 4.29 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 0.00 3 I 8.37 4.48 1.88 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 1.24 0.59 0.99 0.00 0.00 4 V 8.92 4.18 2.27 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 0.93 0.00 0.00 1.05 0.00 0.00 5 G 7.45 4.29 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 0.00 6 V 7.96 5.09 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 1.04 0.00 0.00 0.94 0.00 0.00 7 G 8.87 4.34 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 0.00 8 I 8.33 5.25 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 1.24 1.16 0.92 0.00 0.00 9 D 9.09 4.80 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 5.01 0.00 1.67 1.54 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.87 4.42 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 0.93 0.00 0.00 1.16 0.00 0.00 12 S 8.83 4.57 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.97 3.77 1.96 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 1.44 0.66 0.92 0.00 0.00 14 P 0.00 4.25 0.00 2.17 2.10 0.00 3.56 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 15 D 8.08 4.36 0.00 2.96 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 16 F 8.40 3.95 0.00 3.18 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 17 A 8.34 3.90 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 18 E 7.59 3.82 0.00 2.01 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 2.37 2.48 0.00 19 Q 7.36 4.09 0.00 1.62 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 20 V 6.68 2.00 0.67 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 0.28 0.00 0.00 0.32 0.00 0.00 21 D 7.21 4.51 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.50 4.52 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 23 P 0.00 4.40 0.00 2.04 1.98 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 24 G 8.72 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 25 T 7.15 4.46 4.27 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 1.34 0.00 0.00 26 V 8.07 3.63 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.01 0.00 0.00 27 F 7.30 4.09 0.00 3.14 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 28 A 7.71 4.22 1.42 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 0.00 0.00 0.00 29 E 7.75 4.24 0.00 1.98 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 2.31 2.58 0.00 30 T 7.55 4.26 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 0.60 0.00 0.00 31 F 8.00 5.36 0.00 3.07 3.02 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 32 T 8.64 4.17 4.29 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 1.28 0.00 0.00 33 P 0.00 4.35 0.00 2.19 2.17 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 34 G 8.04 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 35 E 8.17 4.00 0.00 2.31 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 2.39 0.00 36 R 7.99 3.89 0.00 1.90 1.89 0.00 3.40 0.00 0.00 3.54 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 37 R 8.03 3.99 0.00 1.97 1.94 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 38 D 7.98 4.33 0.00 2.84 2.71 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 0.00 0.00 0.00 39 A 7.79 4.13 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 40 S 7.62 4.65 0.00 3.92 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 41 D 7.77 4.63 0.00 2.78 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 42 K 8.57 3.99 0.00 1.90 1.92 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 43 S 7.90 4.49 0.00 3.99 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 44 S 7.93 4.47 0.00 4.06 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 45 S 8.47 4.19 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 46 A 7.98 4.00 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 47 A 8.16 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.49 3.65 0.00 1.93 1.87 0.00 2.97 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.47 0.00 49 H 7.94 4.15 0.00 3.25 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.84 3.76 0.00 1.89 1.64 0.60 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.52 2.70 0.93 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 0.00 0.00 52 A 7.62 3.99 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 53 R 8.27 3.99 0.00 2.23 2.26 0.00 3.20 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 54 W 8.53 4.34 0.00 3.98 3.24 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 55 A 8.86 4.38 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 56 A 8.07 3.86 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 57 K 7.90 3.65 0.00 1.80 1.60 0.00 1.47 0.00 0.00 1.19 0.00 0.00 2.68 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.10 1.29 7.81 58 E 7.90 3.67 0.00 2.10 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 1.47 2.08 0.00 59 A 8.11 3.95 1.41 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 60 V 7.94 3.53 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 0.95 0.00 0.00 0.95 0.00 0.00 61 I 7.79 3.70 1.90 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.28 0.91 0.00 0.00 62 K 8.29 4.00 0.00 1.96 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 63 A 8.05 4.30 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 64 W 8.32 4.10 0.00 3.37 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 65 S 8.86 3.98 0.00 3.95 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 66 G 7.95 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 67 S 7.79 4.69 0.00 4.13 4.22 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 0.00 0.00 0.00 68 R 8.31 3.81 0.00 1.61 1.87 0.00 2.28 0.00 0.00 2.93 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.00 69 F 7.19 4.52 0.00 2.45 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 70 A 8.32 3.92 0.97 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 0.00 0.00 *79 I 8.39 3.90 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 1.27 0.74 0.91 0.00 0.00 *80 H 7.95 4.49 0.00 2.82 3.08 0.00 7.15 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.80 4.36 0.00 1.82 1.85 0.00 3.22 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 82 D 7.63 5.21 0.00 2.58 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 83 I 7.19 4.59 1.67 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 0.87 0.30 0.76 0.00 0.00 84 E 9.10 4.67 0.00 1.96 1.83 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 2.19 2.22 0.00 85 V 8.45 4.81 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 0.86 0.00 0.00 0.92 0.00 0.00 86 V 9.02 4.67 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 0.96 0.00 0.00 0.98 0.00 0.00 87 T 8.44 5.37 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 1.24 0.00 0.00 *92 R 8.22 4.15 0.00 1.79 1.89 0.00 3.25 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 93 P 0.00 4.95 0.00 1.94 2.03 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 94 R 10.01 4.70 0.00 1.79 1.77 0.00 3.09 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 95 V 8.35 4.74 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 0.74 0.00 0.00 0.90 0.00 0.00 96 R 8.98 4.69 0.00 1.69 1.76 0.00 3.28 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 97 L 8.57 5.29 0.00 1.44 1.47 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.62 4.57 4.22 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 0.00 0.00 1.18 0.00 0.00 99 G 8.93 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 0.00 100 A 8.75 4.17 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.75 3.67 1.49 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.79 0.00 0.00 102 A 7.45 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 0.00 103 E 7.95 4.08 0.00 2.30 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 2.32 2.35 0.00 104 Y 7.88 4.21 0.00 3.24 3.22 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 0.00 0.00 0.00 105 L 7.88 4.40 0.00 1.60 1.52 0.82 -0.01 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 0.00 106 A 7.50 3.97 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 0.00 107 D 8.00 4.96 0.00 2.71 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 0.00 108 V 7.73 4.59 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 0.81 0.00 0.00 0.86 0.00 0.00 109 T 9.01 4.46 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 1.08 0.00 0.00 110 I 8.26 4.65 1.82 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 1.31 0.53 0.89 0.00 0.00 111 H 8.98 5.09 0.00 3.06 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.37 5.04 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 0.70 0.00 0.00 0.99 0.00 0.00 113 S 9.04 4.83 0.00 3.88 3.67 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 0.00 114 L 8.30 5.43 0.00 1.73 1.60 0.97 0.60 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 0.00 115 T 8.50 4.64 4.22 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 0.00 0.00 1.26 0.00 0.00 116 H 8.35 5.31 0.00 3.16 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.37 4.46 0.00 1.95 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 2.19 2.29 0.00 118 G 9.22 3.94 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 0.00 0.00 0.00 119 D 9.14 4.61 0.00 2.81 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 0.00 120 T 8.23 5.19 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 1.23 0.00 0.00 121 A 8.85 5.31 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 0.00 122 A 9.04 5.24 1.20 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 0.00 0.00 0.00 123 A 8.88 5.28 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 0.00 124 V 8.87 4.99 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 0.77 0.00 0.00 0.96 0.00 0.00 125 A 9.20 5.31 1.20 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 0.00 0.00 0.00 126 I 8.96 5.03 1.90 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 1.24 0.87 0.93 0.00 0.00 127 L 8.99 5.12 0.00 1.76 1.62 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.92 5.26 0.00 2.10 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 2.23 2.28 0.00 129 A 9.00 4.99 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 P 0.00 4.53 0.00 2.21 2.07 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.