NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.3075 8.4293 121.4699 55.0952 30.6517 175.2266 8 P 4.3617 0.0000 0.0000 62.4598 31.8957 174.2600 9 K 4.8442 9.5878 123.7087 54.7688 35.6887 177.2783 10 F 4.5761 8.8656 121.5221 55.3863 39.9682 175.4863 11 L 4.0205 8.6009 126.3958 54.6258 42.5904 176.8122 12 N 3.9436 8.8212 123.1866 54.0016 39.6847 174.5836 13 K 3.7697 8.7224 128.4718 60.0632 32.1692 178.3326 14 A 3.9919 7.8290 119.9884 55.1711 18.4434 179.4811 15 F 4.2596 7.8780 116.4580 60.5966 38.8232 177.6090 16 E 4.1625 8.5188 119.3869 59.2053 29.3763 179.0154 17 V 3.6316 8.2770 118.6053 65.7171 31.5437 177.8651 18 A 4.0360 7.9485 120.2834 55.1912 18.2012 179.2639 19 L 4.0075 7.9174 116.9875 58.2645 41.8198 180.0167 20 K 4.0987 8.3206 118.0327 59.5823 32.0438 179.6942 21 V 3.6111 8.2462 118.8614 66.1403 31.4592 178.1936 22 Q 4.0101 8.2910 117.8811 58.8183 28.4731 178.7912 23 I 3.3170 7.9459 121.0504 64.3493 37.1181 178.5037 24 I 3.5622 7.5731 120.3739 64.2170 36.9160 178.2421 25 A 4.1261 8.0848 121.7329 55.1707 18.1979 180.0293 26 G 3.6287 7.9433 105.3990 47.4568 0.0000 175.9037 27 F 4.4480 8.4968 121.1384 60.5912 38.8780 177.6036 28 D 4.5604 8.7447 118.8178 57.3900 40.6330 178.9315 29 R 4.0898 8.3016 118.8267 59.4417 30.1370 179.4076 30 G 3.7091 8.3339 105.3581 47.3810 0.0000 175.6763 31 L 3.8997 8.0588 122.7775 58.0015 42.1035 179.1007 32 V 3.6277 8.0875 118.4670 65.8133 31.1849 177.6709 33 K 3.9058 8.2278 119.3169 59.5620 32.0547 178.4899 34 W 4.2939 8.4821 128.3865 60.4015 30.5159 177.9044 35 L 3.9517 8.6476 119.4937 57.7421 40.8677 179.0728 36 R 3.7954 7.6356 117.5163 59.4021 29.9311 177.5904 37 V 3.8918 6.9236 115.6107 64.2280 32.3655 176.5562 38 H 4.5101 7.7629 112.6549 55.3367 29.5025 175.7767 39 G 3.8228 8.0595 108.3199 45.4081 0.0000 175.9081 40 R 4.0344 7.9900 119.6387 59.0069 30.1445 177.2212 41 T 4.4488 7.7386 104.5437 61.0804 69.2804 173.9526 42 L 4.6341 7.9436 123.3038 53.7624 42.9783 177.4657 43 S 4.3711 8.7585 118.0696 58.3349 64.9151 175.6953 44 T 3.8574 8.4122 119.1859 67.2184 68.1393 177.2661 45 V 3.3861 7.6887 113.4140 64.1622 31.6613 178.5727 46 Q 4.0103 7.8829 117.7908 58.7694 28.4780 178.7839 47 K 3.9791 8.0800 119.5040 59.5065 32.0755 179.5636 48 K 4.1040 8.4178 118.9243 59.3574 31.8430 179.2229 49 A 4.4144 8.2267 121.4061 55.3946 18.1191 179.7421 50 L 4.0471 7.6387 116.0832 57.9543 41.9699 179.0128 51 Y 4.1562 8.1566 117.1036 61.0387 37.7672 178.2725 52 F 4.4336 8.9196 122.0712 61.3686 39.4349 177.2162 53 V 3.5982 8.1381 117.9635 65.9575 31.2337 177.7711 54 N 4.3660 8.0240 115.6978 56.4639 38.4838 177.5130 55 R 3.9670 7.9475 118.8318 59.4343 30.2247 179.0594 56 R 4.1810 7.6815 119.7367 58.6786 30.0406 177.8933 57 Y 3.8102 8.1649 119.8197 60.7291 38.4120 177.6350 58 M 4.5763 8.5460 119.2949 58.9560 32.2831 178.2496 59 Q 4.0492 8.3060 118.5861 58.9539 28.6974 178.3738 60 T 4.0799 7.9444 108.9025 63.3091 69.4294 175.5577 61 H 4.3329 7.5752 117.5732 55.0503 29.0496 176.0290 62 W 3.9211 7.7132 131.9446 60.5108 30.4243 177.5800 63 A 3.3615 7.9899 120.0510 55.2102 17.3698 179.2288 64 N 4.2757 7.6820 114.3973 56.3637 38.6525 177.2560 65 Y 4.5167 7.6086 118.4887 61.3780 37.9721 178.2239 66 M 3.8400 7.7980 119.9465 58.0987 31.8348 178.3749 67 L 3.9912 8.1003 120.8329 58.1068 42.1622 178.9474 68 W 4.1932 7.9471 126.8602 60.5937 30.5899 178.0759 69 I 3.1051 8.2286 120.2301 64.2088 36.4140 178.2158 70 N 4.2465 8.6180 117.8135 55.8330 38.3223 177.0835 71 K 3.8083 7.6608 121.2325 59.6382 32.1805 178.8480 72 K 3.7391 7.3074 117.8855 59.5516 31.7255 179.5300 73 I 3.5249 7.3803 118.8074 64.3672 36.9981 178.0020 74 D 4.4364 8.4721 119.3287 57.0970 40.7413 178.2846 75 A 4.1000 7.7969 119.8779 54.0437 18.3497 178.9149 76 L 3.9339 7.0986 117.2864 58.0501 41.8977 178.4632 77 G 4.0757 8.2899 103.9187 45.4515 0.0000 173.1170 78 R 4.7385 7.3717 116.9295 53.9014 34.2770 174.8696 79 T 4.0800 8.2534 109.6061 60.9320 69.3536 172.6682 80 P 4.5203 0.0000 0.0000 62.7841 32.4043 175.6511 81 V 4.6481 9.7835 112.5818 58.6757 35.3713 177.3452 82 V 3.8294 8.7695 121.6713 65.2545 30.9412 178.3997 83 G 3.8791 8.2847 105.7891 48.0342 0.0000 174.8919 84 D 4.2235 8.0550 120.9560 57.3910 40.7782 178.6865 85 Y 3.8047 8.0778 117.1995 60.9787 37.8713 178.0995 86 T 3.9282 8.0371 116.5854 66.7751 68.6154 176.5806 87 R 3.9469 8.0633 117.8492 59.1555 29.5210 178.9028 88 L 4.0764 7.9312 119.9058 57.4205 41.5278 179.5888 89 G 3.5819 8.6337 105.8732 47.8240 0.0000 175.5773 90 A 4.0175 8.1995 123.2100 54.7014 18.2583 179.4878 91 E 3.8861 8.1789 117.1381 59.6864 29.4037 179.5740 92 I 3.5860 7.6771 118.3009 64.4516 36.9701 178.3754 93 G 3.8127 8.3200 106.9823 47.3690 0.0000 175.3492 94 R 4.2669 7.8123 117.5000 58.2011 30.0779 178.2165 95 R 4.3658 8.4080 116.1850 55.8689 29.9112 175.8670 96 I 4.2084 7.2831 119.5454 59.3017 39.1859 174.8023 97 D 4.3747 8.1412 124.4558 52.8687 41.3008 175.9393 98 M 3.5512 7.6929 125.9244 55.4358 32.2187 177.6637 99 A 3.6677 7.0121 120.9817 55.4571 18.4435 179.2093 100 Y 4.2047 7.2664 114.2731 61.3007 38.1959 178.2881 101 F 3.7414 7.9300 120.8419 61.6343 39.3265 176.6300 102 Y 4.0212 7.1586 116.2022 61.0126 37.3045 178.2038 103 D 4.6708 8.3712 120.0916 57.2889 40.9012 178.5316 104 F 4.2170 8.1491 120.9971 61.3076 39.4002 177.1320 105 L 3.7618 7.7540 118.0983 57.5666 41.5175 179.4986 106 K 3.9684 8.3362 119.5977 59.7773 32.0519 178.4830 107 D 4.4148 8.6398 118.6553 57.2339 40.8489 178.2207 108 K 4.1407 7.7478 115.5704 55.4866 32.2333 176.4489 109 N 4.2770 7.8664 115.4174 55.0285 36.4969 174.2855 110 M 4.7776 8.3769 114.4041 54.7172 33.2449 176.2700 111 I 3.7768 8.0508 119.6312 61.0595 37.6244 174.5257 112 P 4.4192 0.0000 0.0000 62.0388 31.8566 176.1924 113 K 3.9564 8.5744 123.1160 56.6290 32.6674 175.6992 114 Y 4.2507 8.7775 127.4841 57.4930 39.3189 174.2517 115 L 4.8545 7.4992 126.3098 51.7228 45.2801 175.4338 116 P 4.0905 0.0000 0.0000 66.2628 31.1419 178.2329 117 Y 3.9923 7.8647 117.4556 60.9568 38.6529 177.9116 118 M 3.1663 7.6186 119.4846 58.0546 31.8638 178.3903 119 E 4.2743 7.3019 120.1773 58.5965 29.6549 178.2189 120 E 3.8680 7.8172 117.9940 59.7010 29.7998 179.3577 121 I 3.8198 7.4088 119.3365 64.4784 37.0526 178.3309 122 N 4.4792 8.4866 116.1322 55.8888 38.4311 176.8928 123 R 4.1603 7.7774 117.7144 56.6812 30.7700 176.6312 124 M 4.3326 7.4328 119.2887 54.3718 33.0128 176.6310 125 R 4.1212 8.3082 120.8580 55.6318 31.1793 176.0147 126 P 4.1867 0.0000 0.0000 65.8136 31.4660 178.8823 127 A 4.0257 7.9948 119.0316 54.7654 18.3729 177.8320 128 D 4.4914 7.9949 114.2773 55.1488 41.4660 177.0565 129 V 3.5147 7.2057 119.8326 62.4942 31.6336 173.7084 130 P 4.4094 0.0000 0.0000 62.3901 32.1887 175.9002 131 V 4.3046 7.7540 113.4463 59.4729 34.8812 175.7556 132 K 4.4573 8.2181 123.3153 54.3897 31.4701 173.5026 133 Y 4.8558 7.6665 120.8456 55.6280 42.2694 174.5138 134 M 3.8062 8.0528 125.6625 56.9066 33.1459 176.0952 *135 G 3.7389 7.9682 111.2749 45.7008 0.0000 172.3214 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 7 E 8.43 4.31 0.00 1.94 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 2.22 2.42 0.00 8 P 0.00 4.36 0.00 2.11 1.95 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 9 K 9.59 4.84 0.00 1.68 1.84 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.54 1.58 7.81 10 F 8.87 4.58 0.00 2.81 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 11 L 8.60 4.02 0.00 1.75 1.71 1.02 1.22 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 12 N 8.82 3.94 0.00 2.20 1.42 0.00 0.00 6.80 7.27 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 13 K 8.72 3.77 0.00 1.81 1.74 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.53 7.81 14 A 7.83 3.99 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 15 F 7.88 4.26 0.00 2.61 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 16 E 8.52 4.16 0.00 2.13 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 0.00 2.35 2.49 0.00 17 V 8.28 3.63 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 1.06 0.00 0.00 1.01 0.00 0.00 18 A 7.95 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.92 4.01 0.00 2.25 1.96 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.32 4.10 0.00 1.88 2.02 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.49 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.67 7.81 21 V 8.25 3.61 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 1.05 0.00 0.00 1.00 0.00 0.00 22 Q 8.29 4.01 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 23 I 7.95 3.32 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.12 0.00 0.00 24 I 7.57 3.56 1.95 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 1.56 0.97 0.96 0.00 0.00 25 A 8.08 4.13 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 26 G 7.94 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 27 F 8.50 4.45 0.00 3.04 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 D 8.74 4.56 0.00 2.91 2.92 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 29 R 8.30 4.09 0.00 2.10 2.04 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 30 G 8.33 3.71 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 0.00 0.00 0.00 31 L 8.06 3.90 0.00 1.55 1.67 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.09 3.63 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 1.00 0.00 0.00 1.12 0.00 0.00 33 K 8.23 3.91 0.00 2.09 2.09 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.51 7.81 34 W 8.48 4.29 0.00 3.68 3.38 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 35 L 8.65 3.95 0.00 2.00 1.73 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.64 3.80 0.00 1.95 2.21 0.00 3.29 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 37 V 6.92 3.89 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 0.52 0.00 0.00 0.83 0.00 0.00 38 H 7.76 4.51 0.00 1.40 2.42 0.00 5.70 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 39 G 8.06 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.99 4.03 0.00 1.74 2.00 0.00 3.15 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 41 T 7.74 4.45 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 1.18 0.00 0.00 42 L 7.94 4.63 0.00 1.73 1.68 1.15 0.95 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 43 S 8.76 4.37 0.00 4.06 4.01 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 0.00 0.00 0.00 44 T 8.41 3.86 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 1.18 0.00 0.00 45 V 7.69 3.39 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 0.81 0.00 0.00 0.94 0.00 0.00 46 Q 7.88 4.01 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 47 K 8.08 3.98 0.00 2.03 1.95 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.63 7.81 48 K 8.42 4.10 0.00 1.14 1.36 0.00 1.55 0.00 0.00 1.31 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.52 7.81 49 A 8.23 4.41 1.56 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 50 L 7.64 4.05 0.00 1.54 1.27 0.67 0.65 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 51 Y 8.16 4.16 0.00 3.26 3.06 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 52 F 8.92 4.43 0.00 3.32 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 53 V 8.14 3.60 2.40 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 1.06 0.00 0.00 1.27 0.00 0.00 54 N 8.02 4.37 0.00 3.16 3.14 0.00 0.00 6.99 7.40 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 55 R 7.95 3.97 0.00 1.86 1.90 0.00 3.54 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 56 R 7.68 4.18 0.00 1.41 1.50 0.00 3.34 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 57 Y 8.16 3.81 0.00 2.99 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 58 M 8.55 4.58 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.18 2.90 0.00 59 Q 8.31 4.05 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 60 T 7.94 4.08 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 1.21 0.00 0.00 61 H 7.58 4.33 0.00 2.85 2.55 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 7.71 3.92 0.00 3.57 3.01 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 0.00 0.00 0.00 63 A 7.99 3.36 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 64 N 7.68 4.28 0.00 2.73 2.73 0.00 0.00 7.16 7.48 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 65 Y 7.61 4.52 0.00 2.61 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 66 M 7.80 3.84 0.00 1.74 1.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.55 0.00 67 L 8.10 3.99 0.00 1.80 1.73 0.98 1.12 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 68 W 7.95 4.19 0.00 3.44 3.39 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 69 I 8.23 3.11 1.79 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 1.27 0.70 0.67 0.00 0.00 70 N 8.62 4.25 0.00 2.81 2.88 0.00 0.00 6.63 7.71 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 71 K 7.66 3.81 0.00 1.73 2.00 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.25 1.41 7.81 72 K 7.31 3.74 0.00 1.28 1.48 0.00 1.28 0.00 0.00 1.38 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.86 0.46 7.81 73 I 7.38 3.52 1.71 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.26 0.82 0.00 0.00 74 D 8.47 4.44 0.00 2.62 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 75 A 7.80 4.10 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 76 L 7.10 3.93 0.00 1.82 1.68 0.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.29 4.08 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 0.00 0.00 0.00 78 R 7.37 4.74 0.00 1.73 1.78 0.00 3.19 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 79 T 8.25 4.08 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 1.24 0.00 0.00 80 P 0.00 4.52 0.00 2.05 1.96 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 81 V 9.78 4.65 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 0.80 0.00 0.00 0.99 0.00 0.00 82 V 8.77 3.83 2.36 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 0.88 0.00 0.00 1.14 0.00 0.00 83 G 8.28 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 84 D 8.05 4.22 0.00 2.35 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 0.00 0.00 0.00 0.00 85 Y 8.08 3.80 0.00 3.18 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 86 T 8.04 3.93 4.42 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 1.22 0.00 0.00 87 R 8.06 3.95 0.00 2.01 2.14 0.00 2.65 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 88 L 7.93 4.08 0.00 1.50 1.64 0.48 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.63 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.02 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 91 E 8.18 3.89 0.00 2.47 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 2.39 2.71 0.00 92 I 7.68 3.59 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 -0.02 0.00 0.00 93 G 8.32 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 0.00 0.00 0.00 94 R 7.81 4.27 0.00 2.06 2.18 0.00 2.77 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 95 R 8.41 4.37 0.00 1.69 1.89 0.00 3.05 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 96 I 7.28 4.21 1.87 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 1.21 0.39 0.32 0.00 0.00 97 D 8.14 4.37 0.00 2.25 1.54 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 98 M 7.69 3.55 0.00 0.91 1.34 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 99 A 7.01 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.27 4.20 0.00 2.86 2.85 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 0.00 101 F 7.93 3.74 0.00 2.82 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 0.00 102 Y 7.16 4.02 0.00 1.43 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 0.00 103 D 8.37 4.67 0.00 2.99 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 0.00 104 F 8.15 4.22 0.00 3.01 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 0.00 105 L 7.75 3.76 0.00 1.91 1.80 1.17 0.71 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 0.00 106 K 8.34 3.97 0.00 2.19 2.06 0.00 2.01 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.64 7.81 107 D 8.64 4.41 0.00 2.67 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 0.00 108 K 7.75 4.14 0.00 1.30 1.55 0.00 1.39 0.00 0.00 1.48 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.10 0.74 7.81 109 N 7.87 4.28 0.00 2.86 2.87 0.00 0.00 6.68 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 0.00 110 M 8.38 4.78 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 111 I 8.05 3.78 1.93 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 1.47 0.51 1.03 0.00 0.00 112 P 0.00 4.42 0.00 2.20 2.12 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 113 K 8.57 3.96 0.00 1.75 1.76 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 114 Y 8.78 4.25 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 0.00 115 L 7.50 4.85 0.00 1.52 1.39 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.09 0.00 2.12 2.09 0.00 3.53 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 2.09 2.13 0.00 117 Y 7.86 3.99 0.00 2.97 2.83 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 0.00 118 M 7.62 3.17 0.00 1.46 1.23 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.81 0.00 119 E 7.30 4.27 0.00 2.03 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 2.42 2.33 0.00 120 E 7.82 3.87 0.00 1.81 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 2.50 2.51 0.00 121 I 7.41 3.82 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.84 0.96 0.00 0.00 122 N 8.49 4.48 0.00 2.94 3.00 0.00 0.00 7.14 7.31 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 0.00 123 R 7.78 4.16 0.00 1.79 1.97 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 124 M 7.43 4.33 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.49 0.00 125 R 8.31 4.12 0.00 1.86 1.85 0.00 3.14 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 126 P 0.00 4.19 0.00 2.18 2.12 0.00 3.60 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 2.12 2.11 0.00 127 A 7.99 4.03 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 0.00 128 D 7.99 4.49 0.00 2.77 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 0.00 129 V 7.21 3.51 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 0.73 0.00 0.00 0.97 0.00 0.00 130 P 0.00 4.41 0.00 2.18 1.99 0.00 3.73 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 1.99 1.99 0.00 131 V 7.75 4.30 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 -0.01 0.00 0.00 -0.15 0.00 0.00 132 K 8.22 4.46 0.00 1.67 1.72 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.36 7.81 133 Y 7.67 4.86 0.00 3.09 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 0.00 134 M 8.05 3.81 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 *135 G 7.97 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 * Residues marked with a * may have inaccurate shift predictions.