NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.6099 8.2649 122.4591 51.8680 20.2866 175.7363 1 Q 4.3835 8.9419 121.5121 53.6442 31.3817 173.0622 2 I 4.6305 8.4858 125.2869 60.0704 39.3729 174.9911 3 V 4.4754 8.6672 126.5751 61.0103 34.1365 174.5869 4 K 4.7262 9.2140 128.3166 56.0162 34.0040 176.4010 5 L 4.3195 9.0953 125.2794 56.2617 42.4571 176.3126 6 G 4.4905 8.2952 111.7966 46.8117 0.0000 172.4136 7 G 3.8457 8.7192 112.7372 44.7929 0.0000 174.3488 8 D 4.3201 8.7513 121.3591 57.3127 40.8760 177.7699 9 D 4.4187 7.9334 115.3287 54.1022 39.5192 176.9508 10 G 3.9056 8.1969 109.2921 45.0805 0.0000 174.1487 11 S 4.1555 8.1537 116.6618 58.6700 64.0945 173.9754 12 L 4.5951 8.3981 124.0336 53.4999 40.3329 175.4732 13 A 4.7081 7.6499 123.2978 50.0572 23.3219 174.8347 14 F 4.6423 8.8195 118.8151 57.2264 40.1457 175.4359 15 V 4.4734 8.9422 123.8621 60.2917 33.8470 173.3092 16 P 4.9558 0.0000 0.0000 62.8280 32.5207 176.1992 17 S 4.7814 8.7291 112.6146 57.9991 64.6375 173.2164 18 K 5.0540 7.9664 121.7447 55.1242 34.4116 174.9985 19 I 4.8271 8.6186 120.2097 59.2278 41.5404 174.2738 20 S 5.2365 8.6232 118.3846 57.0190 65.6983 173.8810 21 V 4.7222 8.9759 116.4106 59.2132 36.2698 174.9604 22 A 4.6574 9.1287 124.4617 51.3490 19.7193 177.2776 23 A 4.1419 8.2279 123.9868 54.0815 18.6760 178.6691 24 G 3.9245 9.1595 112.3546 44.9127 0.0000 173.0417 25 E 4.2537 7.9249 121.1859 55.4614 30.5002 176.2535 26 A 4.3329 8.6240 128.5482 52.0829 20.1350 175.9814 27 I 4.5985 8.6326 122.8884 59.4669 40.1553 174.5427 28 E 4.6653 8.9931 127.9152 54.7593 31.3915 175.4509 29 F 5.0745 9.2327 125.8537 56.5270 40.4067 175.3204 30 V 4.7079 8.7102 125.6427 60.6869 33.6513 174.3094 31 N 4.6662 9.0755 128.1857 54.3923 39.2134 173.4087 32 N 4.8837 9.1816 123.2741 54.7761 41.2404 174.2203 33 A 4.2406 8.2235 118.9536 52.1383 21.9124 176.0789 34 G 3.5913 8.0433 107.2426 46.1593 0.0000 174.2302 35 F 4.0872 6.4234 114.0291 54.6730 38.9039 173.0618 36 P 4.9586 0.0000 0.0000 63.0111 31.6801 175.1934 37 H 5.1045 8.6362 118.0422 54.1989 33.3382 171.5727 38 N 5.3717 8.4775 116.1338 51.7639 41.8824 172.9376 39 I 4.3095 8.8181 118.3454 59.6658 40.2176 174.8463 40 V 4.4866 8.2742 128.1623 60.6962 33.5653 174.6216 41 F 4.5623 9.0565 127.8672 57.0342 39.9531 174.9117 42 D 4.9192 9.2963 124.5579 53.6750 41.4642 177.0385 43 E 4.0710 9.2631 124.6397 58.7844 29.7979 177.1891 44 D 4.6828 8.4392 117.8140 54.5213 41.8099 176.1469 45 A 4.7807 8.3217 123.2047 51.5437 19.2000 175.8128 46 V 4.5813 7.3042 112.8049 58.7942 36.1216 174.6830 47 P 4.2588 0.0000 0.0000 61.9781 31.8460 176.0779 48 A 4.0414 8.1502 123.3101 53.8576 18.6749 178.3575 49 G 3.8918 8.9535 109.6724 45.2672 0.0000 173.0735 50 V 4.1279 7.1812 119.2041 60.7619 32.6289 174.7750 51 D 4.5348 8.5166 126.7075 53.0520 40.8002 176.4443 52 A 4.1415 8.5786 131.1869 55.2468 18.8999 179.1419 53 D 4.2520 8.2788 115.8274 57.2659 41.2074 178.6009 54 A 3.9668 7.8462 120.6375 54.8128 18.3193 178.2282 55 I 4.1186 6.9703 105.8261 61.0974 38.2870 176.3226 56 S 4.6614 7.6616 117.7560 58.7072 63.4755 173.4925 57 Y 4.2830 8.8205 123.6797 55.9331 38.8438 175.4584 *59 D 4.4550 8.3432 126.9627 53.9425 43.1028 175.8036 *61 D 4.4209 7.6490 115.7489 53.8738 41.9369 174.7969 62 Y 4.6851 8.3992 119.3758 58.2605 38.8211 175.7202 63 L 4.6151 9.1242 124.8035 53.8028 42.1520 176.9712 64 N 4.7707 8.7673 120.8615 53.2105 39.9647 175.4012 65 S 4.2819 7.9226 114.4004 55.5045 66.2177 173.4520 66 K 3.7898 7.9716 124.8747 58.1030 32.3441 176.8471 67 G 4.0029 9.0980 115.1252 45.0449 0.0000 173.7350 68 E 4.0488 7.6040 120.0870 57.2323 30.5040 176.3968 69 T 5.0428 8.3355 119.7081 61.8193 72.1917 173.1997 70 V 4.3339 8.6781 126.3198 61.0812 33.8784 174.3822 71 V 5.0484 8.4676 126.8745 61.2684 33.8722 174.6920 72 R 4.8874 8.9951 125.4980 54.3616 34.4283 174.2773 73 K 4.8252 8.6624 120.6577 54.6049 35.3015 175.4130 74 L 4.5719 8.3884 123.5137 53.3719 44.0846 176.8030 75 S 4.3198 8.6917 116.1591 60.0664 63.7716 174.7072 76 T 4.2698 7.8093 116.2616 62.1248 68.8685 172.9481 77 P 4.5476 0.0000 0.0000 62.5799 32.3083 177.1111 78 G 3.8765 7.3506 107.3876 44.4680 0.0000 171.4381 79 V 4.9886 7.7900 119.8790 61.3867 33.6479 175.4898 80 Y 4.9152 9.3003 125.0514 56.2741 41.0318 174.8553 81 G 4.3127 9.4159 112.7223 45.2690 0.0000 172.6331 82 V 4.8431 8.4749 122.7710 60.9840 35.3334 173.7194 83 Y 5.5658 8.5791 123.9386 55.9130 42.5258 172.8410 84 C 5.2171 8.8796 119.8444 57.0987 32.7474 174.1281 85 E 4.2489 9.9844 127.4489 59.1613 29.3043 177.8247 86 P 4.3894 0.0000 0.0000 65.1962 31.6752 176.5404 87 H 4.9300 8.0183 114.0739 55.2963 29.6397 175.4888 88 A 4.1067 7.9733 124.8700 55.3446 18.2309 180.8800 89 G 3.6252 8.0715 102.7179 47.7903 0.0000 174.0352 90 A 4.2017 7.8489 121.3689 52.5705 19.0107 178.0162 91 G 3.9982 8.2409 104.4694 45.2430 0.0000 174.5405 92 M 4.5214 7.8553 121.4431 54.2301 31.2386 174.7426 93 K 5.5110 8.3460 121.3055 54.7806 37.1601 174.5505 94 M 4.9834 8.8463 118.7696 54.5713 35.6785 173.5059 95 T 5.1337 8.8294 115.1347 61.8266 72.5321 173.2124 96 I 4.9580 8.8772 126.6807 59.8225 40.4237 174.4842 97 T 5.0128 8.8547 123.9429 61.9178 70.8546 173.4946 98 V 4.7521 9.0478 127.2846 61.4205 33.9525 175.7282 99 Q 4.3800 8.9930 125.8534 56.0539 29.2058 175.4330 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 A 8.26 4.61 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 1 Q 8.94 4.38 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.49 0.00 2 I 8.49 4.63 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 0.89 0.00 0.00 3 V 8.67 4.48 1.93 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 1.38 0.00 0.00 0.72 0.00 0.00 4 K 9.21 4.73 0.00 1.85 1.72 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 5 L 9.10 4.32 0.00 1.54 1.30 0.93 0.96 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 6 G 8.30 4.49 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 0.00 0.00 0.00 7 G 8.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.75 4.32 0.00 2.67 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 9 D 7.93 4.42 0.00 2.74 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 10 G 8.20 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 11 S 8.15 4.16 0.00 3.79 3.77 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 12 L 8.40 4.60 0.00 1.44 1.45 0.77 0.47 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 13 A 7.65 4.71 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 14 F 8.82 4.64 0.00 2.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.94 4.47 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 1.09 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.96 0.00 2.13 2.06 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 17 S 8.73 4.78 0.00 4.08 4.40 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 18 K 7.97 5.05 0.00 1.73 1.70 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.43 7.81 19 I 8.62 4.83 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.88 0.00 0.00 20 S 8.62 5.24 0.00 3.73 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 21 V 8.98 4.72 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 0.69 0.00 0.00 0.88 0.00 0.00 22 A 9.13 4.66 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 23 A 8.23 4.14 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 24 G 9.16 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 25 E 7.92 4.25 0.00 1.98 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 2.27 2.23 0.00 26 A 8.62 4.33 1.22 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 0.00 0.00 27 I 8.63 4.60 1.67 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 1.08 0.56 0.16 0.00 0.00 28 E 8.99 4.67 0.00 1.78 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 2.21 2.20 0.00 29 F 9.23 5.07 0.00 3.03 2.99 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 30 V 8.71 4.71 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 1.02 0.00 0.00 0.98 0.00 0.00 31 N 9.08 4.67 0.00 2.93 2.70 0.00 0.00 6.16 6.29 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 32 N 9.18 4.88 0.00 2.90 3.11 0.00 0.00 7.02 7.33 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 33 A 8.22 4.24 1.19 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 34 G 8.04 3.59 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 35 F 6.42 4.09 0.00 3.14 3.16 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 36 P 0.00 4.96 0.00 1.05 2.10 0.00 3.23 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 37 H 8.64 5.10 0.00 3.01 3.06 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.48 5.37 0.00 3.15 3.23 0.00 0.00 5.71 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 39 I 8.82 4.31 1.73 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 0.91 0.59 0.13 0.00 0.00 40 V 8.27 4.49 1.05 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 0.75 0.00 0.00 0.82 0.00 0.00 41 F 9.06 4.56 0.00 3.12 3.08 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 0.00 0.00 0.00 0.00 42 D 9.30 4.92 0.00 3.00 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 43 E 9.26 4.07 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 44 D 8.44 4.68 0.00 2.83 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 45 A 8.32 4.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.30 4.58 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 1.02 0.00 0.00 0.91 0.00 0.00 47 P 0.00 4.26 0.00 2.03 1.85 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 48 A 8.15 4.04 1.22 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 0.00 0.00 49 G 8.95 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 50 V 7.18 4.13 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 0.83 0.00 0.00 0.95 0.00 0.00 51 D 8.52 4.53 0.00 2.71 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 52 A 8.58 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.25 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.85 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 6.97 4.12 1.33 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.18 0.75 0.00 0.00 56 S 7.66 4.66 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 57 Y 8.82 4.28 0.00 2.89 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 D 8.34 4.45 0.00 2.65 2.68 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 0.00 0.00 0.00 *61 D 7.65 4.42 0.00 2.32 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 62 Y 8.40 4.69 0.00 2.96 2.79 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 63 L 9.12 4.62 0.00 1.78 1.55 0.80 0.22 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 64 N 8.77 4.77 0.00 2.69 2.86 0.00 0.00 6.95 7.57 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 65 S 7.92 4.28 0.00 3.67 3.55 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 66 K 7.97 3.79 0.00 1.85 1.73 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.82 7.81 67 G 9.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.60 4.05 0.00 1.79 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 2.27 2.20 0.00 69 T 8.34 5.04 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 1.27 0.00 0.00 70 V 8.68 4.33 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 1.02 0.00 0.00 0.23 0.00 0.00 71 V 8.47 5.05 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 0.88 0.00 0.00 0.94 0.00 0.00 72 R 9.00 4.89 0.00 1.99 1.81 0.00 3.30 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.97 0.00 73 K 8.66 4.83 0.00 1.57 1.65 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.42 7.81 74 L 8.39 4.57 0.00 1.34 1.19 0.18 0.39 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 75 S 8.69 4.32 0.00 3.80 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 76 T 7.81 4.27 4.37 0.00 0.00 0.00 0.00 0.00 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 77 P 0.00 4.55 0.00 2.07 2.03 0.00 3.73 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 2.05 2.12 0.00 78 G 7.35 3.88 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 0.00 0.00 0.00 79 V 7.79 4.99 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 0.89 0.00 0.00 0.97 0.00 0.00 80 Y 9.30 4.92 0.00 3.06 3.16 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 81 G 9.42 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 82 V 8.47 4.84 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.08 0.00 0.00 83 Y 8.58 5.57 0.00 3.03 2.99 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 84 C 8.88 5.22 0.00 3.00 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 85 E 9.98 4.25 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.36 0.00 86 P 0.00 4.39 0.00 1.87 2.13 0.00 3.88 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 1.70 1.64 0.00 87 H 8.02 4.93 0.00 3.19 3.26 0.00 5.65 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 88 A 7.97 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 3.63 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 0.00 0.00 0.00 90 A 7.85 4.20 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 91 G 8.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 7.86 4.52 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.12 0.00 93 K 8.35 5.51 0.00 1.70 1.71 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.53 7.81 94 M 8.85 4.98 0.00 1.67 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.53 0.00 95 T 8.83 5.13 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 1.25 0.00 0.00 96 I 8.88 4.96 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.80 0.87 0.00 0.00 97 T 8.85 5.01 4.28 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 1.26 0.00 0.00 98 V 9.05 4.75 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 1.00 0.00 0.00 0.78 0.00 0.00 99 Q 8.99 4.38 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.32 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.