NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7226 8.3049 120.2779 55.3901 33.6948 174.1657 2 K 4.6733 8.9669 119.3424 53.9699 37.4375 173.6349 3 L 4.9933 9.9321 126.1247 53.5761 44.9515 174.8152 4 I 4.7980 8.9525 128.6065 60.1225 39.0343 174.9911 5 V 4.8714 9.2038 127.7590 61.1350 33.7627 173.9916 6 A 5.2214 9.0618 130.0273 50.1733 22.1187 174.4956 7 I 4.8155 8.7711 123.5575 59.8330 39.4131 175.4288 8 V 5.0495 8.7408 119.8648 59.0624 36.5302 175.5464 9 R 4.3368 8.3909 120.7115 55.5292 30.8692 176.3497 10 P 4.2733 0.0000 0.0000 65.7650 31.1176 178.8049 11 E 4.0726 8.1797 114.7179 58.6047 29.8307 178.1770 12 K 4.3117 7.9810 118.1137 56.3134 32.4886 177.8714 13 L 3.8998 7.6001 122.0842 58.5737 41.9966 178.4517 14 N 4.3247 8.1747 115.4427 56.5918 38.5464 177.1203 15 E 3.9884 8.1080 119.3106 59.2215 29.5247 179.4761 16 V 3.5136 7.7655 118.2792 66.0379 31.6826 178.0755 17 L 3.4908 8.1219 119.0893 57.4092 41.3524 179.7247 18 K 4.0291 8.0451 118.1283 59.5794 32.0788 179.2232 19 A 4.0217 7.9565 120.8702 55.0414 18.1598 179.7443 20 L 3.8597 7.9026 117.5802 58.0701 41.7235 179.7475 21 F 5.3476 7.6921 119.0065 60.2770 38.5661 177.5249 22 Q 4.1020 8.1416 118.3621 58.8913 28.8741 177.2460 23 A 4.3682 7.6276 119.0576 51.9399 18.3953 177.3460 24 E 3.9107 7.9665 116.6268 57.8622 27.8009 174.4732 25 V 4.3437 8.0217 119.3243 62.1865 32.8299 176.2397 26 R 4.6745 8.5633 122.7138 57.8082 34.2434 176.0703 27 G 3.8162 8.1026 106.1588 45.1902 0.0000 172.3772 28 L 4.5960 7.7972 122.5594 55.6176 43.0972 173.7457 29 T 4.9359 8.6692 116.1218 61.8170 72.3024 173.2242 30 L 5.8098 8.6322 123.5443 54.2490 43.9652 174.9774 31 S 4.6910 8.3401 112.8919 57.4887 66.4744 172.9852 32 R 4.8347 8.4568 120.0888 55.7722 31.0877 176.2034 33 V 4.6420 8.9929 116.0200 59.9531 36.8910 173.9068 34 Q 5.0855 8.6680 120.0069 54.5239 31.1631 175.5580 35 G 4.3035 9.3037 109.7540 45.9151 0.0000 170.4455 36 H 5.1720 8.5320 117.9139 55.1509 32.7714 174.2515 37 G 3.9104 8.2351 114.0712 44.9577 0.0000 173.7711 38 G 3.8352 8.5685 110.1708 45.8276 0.0000 172.8897 39 E 4.7472 7.6154 118.8351 54.7163 32.4415 175.0239 40 T 4.6179 7.8744 108.5071 60.6423 71.2992 173.6986 *54 E 4.2204 8.6416 121.4176 55.5646 31.5473 175.5434 55 L 4.8903 7.5474 117.9954 53.4603 44.1273 175.5285 56 H 5.0612 9.1613 117.8182 53.6941 33.2077 172.6686 57 E 4.6421 8.8238 121.9423 56.5568 30.3536 175.8625 58 K 4.8538 9.3077 124.5566 54.9554 37.6032 174.9158 59 V 4.7114 8.9081 121.8751 61.2574 34.0851 174.1924 60 R 4.9645 9.2604 128.7826 54.8683 31.8071 174.5816 61 L 5.1107 9.2288 127.1151 53.2660 44.4305 175.4931 62 E 4.9401 9.5590 123.4053 54.6777 32.7766 174.4373 63 I 4.6952 9.1763 129.0555 59.3356 40.3472 175.1575 64 G 4.1903 8.7471 115.3152 45.7681 0.0000 172.8013 65 V 4.7978 8.7475 117.8100 59.5003 36.7305 175.4099 66 S 4.7344 8.4626 116.7323 57.4783 64.6973 174.8704 67 E 3.9655 9.0183 120.9089 59.6728 28.9150 178.2052 68 P 4.3974 0.0000 0.0000 64.6476 31.7245 177.5458 69 F 4.4485 8.3981 115.4471 57.3112 39.2097 177.8051 70 V 3.5866 7.7170 119.3068 66.0265 31.3601 177.8731 71 K 3.9186 7.9961 117.5463 59.1841 31.9937 177.4594 72 P 4.1995 0.0000 0.0000 65.7399 31.3532 178.8999 73 T 3.8998 7.9822 114.6885 66.5951 68.3631 177.0409 74 V 3.5746 7.9409 120.2497 65.8829 31.5716 177.5634 75 E 3.8648 8.5149 119.2055 59.2008 29.4672 178.6606 76 A 3.9688 7.9839 120.6693 55.2329 18.4745 179.7274 77 I 3.6188 7.5976 117.9120 64.4505 36.9187 178.5160 78 L 3.9301 7.9780 119.8942 57.7866 41.2624 179.6749 79 K 3.9653 7.8606 117.6987 59.5359 32.2760 178.4144 80 A 4.1515 7.9174 119.4489 54.4720 18.5904 178.6376 81 A 4.1951 8.2214 117.2732 52.0428 19.3075 177.6105 82 R 4.2985 6.9676 119.1508 56.0425 30.7424 176.1167 83 T 4.3989 9.3765 113.9693 60.6588 70.5801 175.3113 84 G 3.9253 8.8210 109.2388 45.0324 0.0000 172.7914 85 E 4.5851 7.8094 119.1901 53.9899 31.5918 175.6233 86 V 3.5300 8.0656 120.7761 64.4944 30.4645 176.1270 87 G 4.1240 9.1412 113.3078 45.3890 0.0000 175.0241 88 D 4.4634 7.5103 119.0150 56.1139 41.0467 175.7435 89 G 4.2627 7.7241 101.3967 44.9607 0.0000 172.1714 90 K 4.5979 8.2427 115.5343 54.8757 37.1091 175.5267 91 I 4.7899 7.8599 121.6840 59.6616 39.9688 174.9321 92 F 4.7616 9.5784 126.7717 55.6654 41.3998 174.9579 93 V 4.5816 8.5956 123.8884 61.4997 32.5391 174.4604 94 L 4.7916 8.8455 129.1847 52.4560 43.8124 174.8506 95 P 4.7005 0.0000 0.0000 62.5855 32.2980 175.8655 96 V 4.3258 8.0843 122.3097 61.1796 33.4098 175.0166 97 E 4.0888 9.2014 129.2844 58.8253 29.8834 176.2684 98 K 4.5830 7.2582 113.4841 56.1663 35.2514 174.7148 99 V 4.5728 8.4059 120.6738 61.4049 34.9706 173.6669 100 Y 5.1360 8.8140 123.9851 56.1836 41.0398 174.8793 101 R 4.3706 8.8645 124.3945 55.1104 30.9890 177.0669 102 I 3.7047 8.6916 127.9860 64.5835 37.5420 177.4789 103 R 4.0258 8.1982 119.1004 59.1052 29.9379 177.0714 104 T 4.2499 7.8886 104.6101 60.8123 69.7862 175.4066 105 G 3.9750 8.4254 110.0951 45.8489 0.0000 173.4870 106 E 4.2333 7.8729 120.1376 56.0261 30.6391 175.3884 107 E 4.7898 8.6612 124.1086 54.3994 32.0714 174.5400 108 D 5.0399 8.8917 125.6983 52.8752 43.9523 176.2794 109 E 4.3839 8.7710 117.8022 55.8542 33.7482 174.8287 110 A 4.3347 7.9506 125.3354 52.1029 19.3330 175.9631 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 8.30 4.72 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 2 K 8.97 4.67 0.00 1.71 1.65 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.68 7.81 3 L 9.93 4.99 0.00 1.70 1.53 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.95 4.80 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.94 0.00 0.00 5 V 9.20 4.87 2.28 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 1.02 0.00 0.00 0.97 0.00 0.00 6 A 9.06 5.22 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 7 I 8.77 4.82 1.92 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 1.40 1.21 0.95 0.00 0.00 8 V 8.74 5.05 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 0.69 0.00 0.00 0.99 0.00 0.00 9 R 8.39 4.34 0.00 1.87 1.84 0.00 3.13 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.27 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 11 E 8.18 4.07 0.00 2.11 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 0.00 2.27 2.40 0.00 12 K 7.98 4.31 0.00 1.93 1.85 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.72 7.81 13 L 7.60 3.90 0.00 1.82 1.75 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.17 4.32 0.00 2.78 2.88 0.00 0.00 7.00 7.66 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 15 E 8.11 3.99 0.00 2.13 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 2.40 2.36 0.00 16 V 7.77 3.51 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 1.03 0.00 0.00 0.98 0.00 0.00 17 L 8.12 3.49 0.00 1.76 1.39 0.97 0.56 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 18 K 8.05 4.03 0.00 2.01 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.72 7.81 19 A 7.96 4.02 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 20 L 7.90 3.86 0.00 1.41 1.54 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.69 5.35 0.00 3.23 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 22 Q 8.14 4.10 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.35 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 23 A 7.63 4.37 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 24 E 7.97 3.91 0.00 2.45 2.42 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 2.33 2.32 0.00 25 V 8.02 4.34 2.22 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 1.02 0.00 0.00 1.11 0.00 0.00 26 R 8.56 4.67 0.00 1.81 1.91 0.00 3.26 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 27 G 8.10 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 28 L 7.80 4.60 0.00 1.60 1.63 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.67 4.94 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 1.22 0.00 0.00 30 L 8.63 5.81 0.00 1.66 1.59 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.34 4.69 0.00 3.88 3.96 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 32 R 8.46 4.83 0.00 1.72 1.91 0.00 3.54 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 33 V 8.99 4.64 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 0.76 0.00 0.00 0.99 0.00 0.00 34 Q 8.67 5.09 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 35 G 9.30 4.30 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 0.00 36 H 8.53 5.17 0.00 3.09 3.16 0.00 5.92 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 37 G 8.24 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 38 G 8.57 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 39 E 7.62 4.75 0.00 1.92 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 0.00 2.20 2.24 0.00 40 T 7.87 4.62 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 1.29 0.00 0.00 *54 E 8.64 4.22 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 55 L 7.55 4.89 0.00 1.47 1.58 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.16 5.06 0.00 3.01 3.14 0.00 5.62 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 57 E 8.82 4.64 0.00 2.00 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 0.00 2.31 2.36 0.00 58 K 9.31 4.85 0.00 1.65 1.75 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.55 7.81 59 V 8.91 4.71 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 1.03 0.00 0.00 0.94 0.00 0.00 60 R 9.26 4.96 0.00 1.89 1.90 0.00 3.14 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 61 L 9.23 5.11 0.00 1.60 1.55 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.56 4.94 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 2.20 2.27 0.00 63 I 9.18 4.70 1.89 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 1.17 0.64 0.99 0.00 0.00 64 G 8.75 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 0.00 0.00 0.00 0.00 65 V 8.75 4.80 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 0.79 0.00 0.00 1.04 0.00 0.00 66 S 8.46 4.73 0.00 4.03 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 67 E 9.02 3.97 0.00 2.03 2.10 0.00 0.00 0.00 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 2.40 0.00 68 P 0.00 4.40 0.00 2.24 2.16 0.00 3.75 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 2.12 2.23 0.00 69 F 8.40 4.45 0.00 3.20 3.12 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 0.00 0.00 0.00 70 V 7.72 3.59 2.20 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 1.05 0.00 0.00 1.07 0.00 0.00 71 K 8.00 3.92 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 72 P 0.00 4.20 0.00 2.01 1.95 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 73 T 7.98 3.90 4.46 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 1.24 0.00 0.00 74 V 7.94 3.57 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 1.04 0.00 0.00 0.99 0.00 0.00 75 E 8.51 3.86 0.00 2.15 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 2.28 2.36 0.00 76 A 7.98 3.97 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 77 I 7.60 3.62 1.84 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 1.48 0.60 0.88 0.00 0.00 78 L 7.98 3.93 0.00 1.80 1.70 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.86 3.97 0.00 1.80 1.81 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 80 A 7.92 4.15 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 81 A 8.22 4.20 1.31 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 82 R 6.97 4.30 0.00 1.96 1.82 0.00 3.18 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 83 T 9.38 4.40 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 1.23 0.00 0.00 84 G 8.82 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 0.00 0.00 0.00 85 E 7.81 4.59 0.00 2.00 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 2.23 2.35 0.00 86 V 8.07 3.53 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 0.83 0.00 0.00 1.02 0.00 0.00 87 G 9.14 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.51 4.46 0.00 2.74 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 89 G 7.72 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 90 K 8.24 4.60 0.00 1.46 1.06 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.39 7.81 91 I 7.86 4.79 1.76 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 1.30 0.53 0.88 0.00 0.00 92 F 9.58 4.76 0.00 3.00 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 93 V 8.60 4.58 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 0.83 0.00 0.00 0.95 0.00 0.00 94 L 8.85 4.79 0.00 1.69 1.56 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.70 0.00 1.95 1.99 0.00 3.63 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 96 V 8.08 4.33 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 0.82 0.00 0.00 0.98 0.00 0.00 97 E 9.20 4.09 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 2.30 2.31 0.00 98 K 7.26 4.58 0.00 1.49 1.60 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.52 7.81 99 V 8.41 4.57 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 0.90 0.00 0.00 0.92 0.00 0.00 100 Y 8.81 5.14 0.00 2.79 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 0.00 101 R 8.86 4.37 0.00 1.93 1.82 0.00 3.15 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 102 I 8.69 3.70 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 1.31 0.67 0.91 0.00 0.00 103 R 8.20 4.03 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 T 7.89 4.25 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 1.21 0.00 0.00 105 G 8.43 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 0.00 0.00 0.00 106 E 7.87 4.23 0.00 1.89 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 2.33 2.42 0.00 107 E 8.66 4.79 0.00 1.66 1.62 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 1.76 1.47 0.00 108 D 8.89 5.04 0.00 2.53 2.43 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 0.00 109 E 8.77 4.38 0.00 1.77 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 2.16 2.52 0.00 110 A 7.95 4.33 1.21 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.