NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4936 8.2893 118.8030 54.2296 32.4297 175.6299 2 S 4.3987 8.1482 125.3801 56.3319 61.2160 173.5220 3 N 4.7461 8.3274 116.5630 52.8952 43.8445 176.6427 4 T 4.0869 8.5596 119.6351 64.3913 69.0327 173.6687 5 L 5.0179 8.0998 118.9536 53.6739 44.2858 176.3593 6 F 4.6918 7.7801 118.7156 57.9799 42.3062 171.8233 7 D 5.3390 7.0555 122.9645 53.1750 44.5211 173.8769 8 D 4.3603 7.9757 121.0506 54.9018 46.0061 174.4346 9 I 6.0204 7.3136 117.4097 59.6220 41.7766 174.6058 10 F 5.6968 9.2816 123.3042 54.9320 43.5430 173.5259 11 Q 5.5306 8.4205 119.7935 53.1752 31.9362 173.0097 12 V 3.8759 8.8773 127.0806 63.6490 31.7978 176.1065 13 S 4.2702 9.1733 122.9678 60.2803 62.3631 173.7087 14 E 4.7388 7.8648 117.2234 55.2039 32.9034 173.2020 15 V 4.5720 8.5301 126.4353 61.2156 33.5860 174.0204 16 D 5.0795 9.4849 127.7586 51.1380 43.9509 174.5550 17 P 5.2380 0.0000 0.0000 61.4699 31.4894 176.0632 18 G 3.4675 7.7901 107.1305 47.7888 0.0000 174.0255 19 R 3.6807 8.5806 127.3818 56.9392 28.1999 178.0199 20 Y 5.3772 7.3303 113.6758 58.1719 39.5634 177.0856 21 N 4.2950 7.6654 118.7007 54.1151 39.6412 176.0650 22 K 4.7541 8.0566 113.9589 55.6540 35.3961 175.9036 23 V 4.8551 8.4934 119.9520 61.4839 34.9012 174.3664 24 C 5.1392 9.3329 124.1768 58.0711 32.4629 172.9662 25 R 4.7015 9.0687 124.9334 55.7685 31.0158 175.0567 26 I 5.0781 8.9558 126.1168 59.4792 42.1085 173.6029 27 E 5.7645 8.8776 122.5225 54.9307 34.1383 174.3701 28 A 5.0428 8.7475 121.8298 52.1347 22.9550 175.0338 29 A 5.0225 8.4766 120.8085 50.1304 22.3779 176.1089 30 S 3.9261 8.4156 114.9683 57.3965 62.8736 175.2638 31 T 4.4119 7.5111 119.6084 59.7864 69.3758 173.2033 32 T 4.0449 7.4740 125.5683 64.6461 76.4400 176.4661 33 Q 4.0934 8.7752 126.5113 57.0079 30.0174 176.1726 34 D 5.5418 8.5182 121.6549 54.9126 41.5870 177.4289 35 Q 4.4625 8.0152 119.1761 57.3820 31.3176 176.0092 36 C 4.6351 7.6692 119.2775 59.5646 30.3932 173.2954 37 K 4.9313 8.3731 123.8267 55.2361 34.0084 175.3355 38 L 4.8695 8.3619 122.3500 54.2784 46.1494 174.4798 39 T 5.1344 8.6954 121.0902 61.8024 72.7784 172.9648 40 L 4.8854 8.9044 127.6511 54.1053 45.9218 174.0280 41 D 5.0670 8.7734 127.3207 54.5102 41.7605 176.0554 42 I 4.7336 9.2687 123.3051 59.6363 42.0800 174.5947 43 N 4.8252 9.5915 125.8020 52.6414 38.3731 175.1743 44 V 5.1994 7.8027 130.6598 62.6986 30.4643 176.2003 45 E 4.5955 8.1172 119.3392 55.7946 31.7767 175.5914 46 L 4.7025 8.7153 117.2900 52.1976 42.4462 176.3579 47 F 5.4648 7.7625 135.0000 57.7758 40.0188 171.1544 48 P 4.6435 0.0000 0.0000 62.1916 32.0289 176.4457 49 V 4.2312 7.9561 118.8190 61.6010 34.2834 173.5361 50 A 4.6754 8.3752 129.3699 49.6721 21.3763 175.3243 51 A 3.9632 8.5728 125.2896 53.4538 18.9669 175.6703 52 Q 3.5292 9.3149 122.3423 55.9032 25.9357 172.0901 53 D 4.6936 7.7866 119.4490 52.5750 45.3671 173.8045 54 S 4.8388 8.8178 120.5723 57.9303 62.5818 172.7269 55 L 5.1314 8.8612 127.3698 53.1775 45.3918 175.8441 56 T 5.0367 8.6599 120.1857 62.4433 70.3041 173.8170 57 V 4.8136 8.8096 126.5307 61.6761 34.1942 174.6600 58 T 5.7788 8.1108 122.3662 62.1612 72.9006 173.2224 59 I 4.6186 8.5179 122.3134 60.1818 38.4132 177.2306 60 A 4.0932 9.4483 132.0215 52.7478 18.7900 179.0810 61 S 5.3622 8.1421 113.9521 56.9206 63.6473 174.0071 62 S 4.4383 7.0124 114.0892 59.9002 66.9996 177.4054 63 L 4.2341 7.2598 116.2019 54.0601 43.6715 175.5668 64 N 4.6434 7.5899 114.8273 54.1319 40.4458 174.3279 *76 T 4.3262 7.4556 109.2281 61.0081 70.9161 173.7179 77 R 4.2306 8.1911 123.8510 56.1176 34.1553 175.3167 78 S 4.1800 9.0880 111.9417 56.9920 61.6792 172.8419 79 W 4.2744 8.7829 134.8956 57.9597 30.8058 175.7452 80 R 4.3500 7.4640 123.7654 53.6769 32.2209 176.6464 81 P 4.0501 0.0000 0.0000 61.4119 30.8926 173.8530 82 P 4.1054 0.0000 0.0000 61.3988 31.7160 179.0569 83 Q 3.4827 8.4875 118.3409 56.9260 28.7721 175.5572 84 A 4.4614 9.8266 117.5926 52.2149 17.7933 178.4655 85 G 3.9405 7.8441 111.6558 50.1576 0.0000 174.1219 86 D 4.4468 7.6595 118.4750 53.0141 41.9138 173.5035 87 R 4.5682 7.8373 124.0086 54.6902 34.2233 174.9606 88 S 4.3823 8.4690 114.9270 58.7869 63.1940 174.6225 89 L 4.6258 7.6312 116.8995 55.5736 40.6207 175.1300 90 A 4.3517 8.4554 129.3005 53.4381 17.7501 178.7958 91 D 4.9065 9.1110 116.7217 55.6441 39.0233 177.7444 92 D 4.6807 7.9089 119.6498 54.6504 39.7618 174.9381 93 Y 4.7637 7.6886 115.9653 57.0833 42.4220 174.2972 94 D 4.9404 9.8335 117.3079 51.5625 39.6566 175.9751 95 Y 5.1555 6.9697 132.9308 58.6668 40.6270 169.7874 96 V 4.6948 7.9448 127.3144 61.5966 34.3990 174.6282 97 M 4.7067 8.2751 128.7318 54.6789 35.1467 173.9319 98 Y 5.2163 8.0271 118.2555 57.7717 41.7844 175.2184 99 G 4.2255 8.4698 109.3665 46.7486 0.0000 172.3708 100 T 5.5756 8.9595 115.4539 60.5599 73.0183 173.1985 101 A 4.0942 7.8949 126.5172 51.4361 19.0562 175.9951 102 Y 4.5132 8.6583 121.1609 58.4581 39.2922 175.8863 103 K 4.4960 6.7605 122.3823 53.4480 34.4541 175.6472 104 F 4.7167 8.3296 124.2498 56.0533 39.1757 175.0448 105 E 3.9405 8.4500 119.0008 57.1817 30.9423 176.1674 106 E 4.7672 8.6136 125.2197 54.4120 30.1065 177.0861 107 V 3.8005 8.0789 129.5226 64.1661 30.0492 175.1640 108 S 3.2802 8.6309 115.4868 59.8241 65.2739 173.8092 109 K 3.6939 8.1071 121.4811 58.2075 31.0416 175.4293 110 D 4.8202 8.8270 114.4843 52.4437 39.7625 175.0384 111 L 5.1167 7.7687 121.1333 53.5009 42.6379 175.3194 112 I 4.6966 8.2919 124.1401 58.9207 40.3656 174.2570 113 A 5.2659 8.4267 130.2334 49.3741 21.5495 175.8945 114 V 4.1851 7.8588 112.9109 59.4996 35.8510 174.0736 115 Y 4.9325 8.2720 120.6246 56.3769 40.9053 174.5066 116 Y 4.9375 8.9714 120.5176 56.1455 42.3022 174.4544 117 S 4.6632 8.9620 117.1217 56.5608 65.9516 172.7905 118 F 4.7972 9.3180 127.4099 55.5210 39.1259 175.8918 119 G 3.7140 8.8494 116.4145 45.7105 0.0000 170.0709 120 G 4.0470 7.1054 110.2660 45.4305 0.0000 172.9508 121 L 4.1584 8.0437 116.8892 54.7668 43.2793 176.9429 122 L 5.0198 9.8625 125.8672 54.2600 44.7354 174.9081 123 M 4.8043 8.0897 115.1704 55.5238 36.4287 173.7080 124 R 4.6327 8.7161 125.1207 54.4086 33.8085 173.8201 125 L 4.8899 8.1578 127.2513 53.4378 45.5369 174.0911 126 E 4.9598 8.6134 121.9711 53.1825 33.7132 175.2334 127 G 4.4394 8.5915 106.7509 44.2790 0.0000 174.5089 128 N 4.6101 5.7700 132.3299 54.3843 40.2766 173.4783 129 Y 4.8360 6.1345 115.3352 57.8887 41.0722 176.6593 130 R 4.7179 7.7500 119.4713 56.1902 30.6771 178.3328 131 N 4.3926 8.4055 117.1386 55.9230 38.9104 176.5685 132 L 4.7717 7.9710 114.3367 54.4387 42.1338 175.6893 133 N 4.9445 7.4122 113.2528 55.0969 41.3394 176.1876 134 N 4.9104 7.9362 118.3947 53.4735 36.4913 175.0188 135 L 4.2370 7.8977 121.7132 54.7600 42.7704 177.8746 136 K 4.2635 8.1762 119.1073 56.3852 30.6524 177.5042 137 Q 4.2316 7.5385 117.2684 55.8954 29.5762 177.2767 138 E 3.9023 9.0584 119.8334 59.6481 29.9350 176.3785 139 N 4.5458 7.7903 115.0323 52.7516 39.8823 172.3362 140 A 4.6034 8.2768 130.7154 52.2615 18.6697 174.5149 141 Y 4.5544 8.6843 120.5292 57.4253 39.9109 174.4786 142 L 4.5046 8.1691 125.8235 53.6841 44.4055 175.1340 143 L 5.0279 7.8704 123.0849 53.0678 46.3831 175.3226 144 I 5.8347 8.5194 121.6245 58.8929 41.7378 174.4917 145 R 5.0887 8.5432 121.5697 55.4624 33.4119 175.3110 146 R 4.2483 8.3247 119.2457 56.8420 31.6640 175.7741 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 M 8.29 4.49 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 S 8.15 4.40 0.00 4.02 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 3 N 8.33 4.75 0.00 2.71 2.74 0.00 0.00 7.22 7.54 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 4 T 8.56 4.09 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 1.30 0.00 0.00 5 L 8.10 5.02 0.00 1.68 1.75 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.78 4.69 0.00 3.22 2.81 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 7 D 7.06 5.34 0.00 2.62 2.34 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 8 D 7.98 4.36 0.00 2.48 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 9 I 7.31 6.02 1.88 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 1.45 1.25 1.05 0.00 0.00 10 F 9.28 5.70 0.00 2.92 3.09 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 0.00 0.00 0.00 0.00 11 Q 8.42 5.53 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 12 V 8.88 3.88 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 0.94 0.00 0.00 0.99 0.00 0.00 13 S 9.17 4.27 0.00 3.92 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 14 E 7.86 4.74 0.00 2.03 1.73 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 2.26 2.23 0.00 15 V 8.53 4.57 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 0.88 0.00 0.00 1.02 0.00 0.00 16 D 9.48 5.08 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 17 P 0.00 5.24 0.00 2.25 2.13 0.00 3.87 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 1.91 1.96 0.00 18 G 7.79 3.47 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 0.00 0.00 0.00 0.00 19 R 8.58 3.68 0.00 1.56 1.82 0.00 3.29 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 20 Y 7.33 5.38 0.00 3.00 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 21 N 7.67 4.29 0.00 2.77 2.89 0.00 0.00 7.00 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 22 K 8.06 4.75 0.00 1.62 1.71 0.00 1.60 0.00 0.00 2.08 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 23 V 8.49 4.86 1.69 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 0.75 0.00 0.00 0.81 0.00 0.00 24 C 9.33 5.14 0.00 2.90 2.82 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 25 R 9.07 4.70 0.00 2.19 1.87 0.00 3.09 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 I 8.96 5.08 1.91 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 1.25 1.73 1.00 0.00 0.00 27 E 8.88 5.76 0.00 1.90 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 2.31 2.12 0.00 28 A 8.75 5.04 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 29 A 8.48 5.02 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 30 S 8.42 3.93 0.00 3.37 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 31 T 7.51 4.41 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 1.19 0.00 0.00 32 T 7.47 4.04 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 1.03 0.00 0.00 33 Q 8.78 4.09 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.09 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 34 D 8.52 5.54 0.00 2.66 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 35 Q 8.02 4.46 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.34 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 36 C 7.67 4.64 0.00 3.17 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 37 K 8.37 4.93 0.00 1.71 1.77 0.00 2.00 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.72 7.81 38 L 8.36 4.87 0.00 1.42 1.26 0.68 -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 0.00 0.00 0.00 0.00 39 T 8.70 5.13 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 1.28 0.00 0.00 40 L 8.90 4.89 0.00 1.61 1.36 1.05 0.71 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 41 D 8.77 5.07 0.00 2.73 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 42 I 9.27 4.73 2.09 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 0.82 0.67 1.34 0.00 0.00 43 N 9.59 4.83 0.00 2.82 2.58 0.00 0.00 6.69 8.55 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 44 V 7.80 5.20 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 1.01 0.00 0.00 1.13 0.00 0.00 45 E 8.12 4.60 0.00 1.73 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 2.20 2.24 0.00 46 L 8.72 4.70 0.00 1.54 1.46 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.76 5.46 0.00 3.31 3.26 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 48 P 0.00 4.64 0.00 1.94 1.91 0.00 3.48 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 49 V 7.96 4.23 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 0.81 0.00 0.00 1.17 0.00 0.00 50 A 8.38 4.68 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 51 A 8.57 3.96 1.28 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 0.00 0.00 0.00 52 Q 9.31 3.53 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 53 D 7.79 4.69 0.00 2.83 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 54 S 8.82 4.84 0.00 3.96 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 55 L 8.86 5.13 0.00 1.72 1.59 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.66 5.04 4.41 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 1.37 0.00 0.00 57 V 8.81 4.81 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 0.85 0.00 0.00 0.72 0.00 0.00 58 T 8.11 5.78 4.06 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 1.36 0.00 0.00 59 I 8.52 4.62 1.97 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 1.10 1.08 0.92 0.00 0.00 60 A 9.45 4.09 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 61 S 8.14 5.36 0.00 4.02 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 62 S 7.01 4.44 0.00 3.76 3.57 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 0.00 0.00 0.00 0.00 63 L 7.26 4.23 0.00 1.44 1.38 0.72 0.38 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 64 N 7.59 4.64 0.00 2.84 2.76 0.00 0.00 6.79 7.59 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 *76 T 7.46 4.33 4.48 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 1.44 0.00 0.00 77 R 8.19 4.23 0.00 1.79 1.60 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 78 S 9.09 4.18 0.00 3.92 3.90 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 79 W 8.78 4.27 0.00 3.34 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 80 R 7.46 4.35 0.00 1.47 1.81 0.00 3.17 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 81 P 0.00 4.05 0.00 1.93 1.89 0.00 3.79 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 82 P 0.00 4.11 0.00 2.19 2.10 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 83 Q 8.49 3.48 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.24 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 84 A 9.83 4.46 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 85 G 7.84 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 86 D 7.66 4.45 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.84 4.57 0.00 1.74 1.76 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 88 S 8.47 4.38 0.00 3.82 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 89 L 7.63 4.63 0.00 1.96 1.76 1.10 0.49 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 90 A 8.46 4.35 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 91 D 9.11 4.91 0.00 2.69 2.82 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 92 D 7.91 4.68 0.00 2.53 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 93 Y 7.69 4.76 0.00 2.85 3.13 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 0.00 0.00 0.00 0.00 94 D 9.83 4.94 0.00 3.01 2.81 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 95 Y 6.97 5.16 0.00 2.73 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 0.00 0.00 0.00 0.00 96 V 7.94 4.69 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 0.95 0.00 0.00 0.79 0.00 0.00 97 M 8.28 4.71 0.00 1.58 1.19 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 98 Y 8.03 5.22 0.00 2.63 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 99 G 8.47 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 0.00 100 T 8.96 5.58 4.16 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 1.20 0.00 0.00 101 A 7.89 4.09 0.65 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 0.00 0.00 102 Y 8.66 4.51 0.00 2.95 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 0.00 103 K 6.76 4.50 0.00 1.38 1.06 0.00 1.51 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 1.56 7.81 104 F 8.33 4.72 0.00 2.92 3.05 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 0.00 0.00 0.00 0.00 105 E 8.45 3.94 0.00 2.14 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 2.43 2.42 0.00 106 E 8.61 4.77 0.00 1.98 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 2.22 2.28 0.00 107 V 8.08 3.80 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 0.78 0.00 0.00 0.94 0.00 0.00 108 S 8.63 3.28 0.00 4.12 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 0.00 109 K 8.11 3.69 0.00 1.90 1.17 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.41 7.81 110 D 8.83 4.82 0.00 2.98 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 0.00 111 L 7.77 5.12 0.00 1.92 1.63 0.93 0.53 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 0.00 112 I 8.29 4.70 1.85 0.00 0.00 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 1.35 0.98 0.87 0.00 0.00 113 A 8.43 5.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.86 4.19 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 0.83 0.00 0.00 115 Y 8.27 4.93 0.00 1.55 1.82 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 0.00 116 Y 8.97 4.94 0.00 2.78 2.33 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 0.00 117 S 8.96 4.66 0.00 3.58 3.34 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 0.00 118 F 9.32 4.80 0.00 2.92 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 0.00 119 G 8.85 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 0.00 120 G 7.11 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.04 4.16 0.00 1.88 1.81 1.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.86 5.02 0.00 1.73 1.77 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.09 4.80 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 124 R 8.72 4.63 0.00 1.46 1.45 0.00 2.77 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 125 L 8.16 4.89 0.00 1.55 1.24 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.61 4.96 0.00 2.11 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 2.31 2.34 0.00 127 G 8.59 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 5.77 4.61 0.00 2.79 2.75 0.00 0.00 6.62 7.54 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 0.00 129 Y 6.13 4.84 0.00 3.15 2.97 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 0.00 130 R 7.75 4.72 0.00 2.05 2.22 0.00 3.96 0.00 0.00 3.71 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 131 N 8.41 4.39 0.00 2.76 2.92 0.00 0.00 6.99 7.85 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 0.00 132 L 7.97 4.77 0.00 1.64 1.67 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.41 4.94 0.00 2.77 3.10 0.00 0.00 6.89 9.28 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 0.00 134 N 7.94 4.91 0.00 2.87 3.06 0.00 0.00 6.91 7.85 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 0.00 135 L 7.90 4.24 0.00 1.86 1.63 1.03 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 0.00 136 K 8.18 4.26 0.00 1.31 1.10 0.00 1.27 0.00 0.00 1.41 0.00 0.00 2.82 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.33 0.21 7.81 137 Q 7.54 4.23 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 138 E 9.06 3.90 0.00 2.01 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 0.00 2.35 2.22 0.00 139 N 7.79 4.55 0.00 2.89 2.92 0.00 0.00 6.91 7.96 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 0.00 140 A 8.28 4.60 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 0.00 141 Y 8.68 4.55 0.00 2.78 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 0.00 142 L 8.17 4.50 0.00 1.40 0.92 0.80 0.07 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 0.00 143 L 7.87 5.03 0.00 0.61 0.13 0.74 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.52 5.83 1.31 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.72 0.78 0.00 0.00 145 R 8.54 5.09 0.00 1.78 1.93 0.00 2.77 0.00 0.00 2.68 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 146 R 8.32 4.25 0.00 2.15 2.30 0.00 3.33 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.