NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.4312 8.3449 119.6887 56.0379 28.9167 174.4698 5 K 4.4817 7.8952 124.7655 55.7238 33.5569 175.7933 6 C 4.0382 8.4511 113.0901 58.0072 37.8353 173.2044 7 N 4.5632 8.0452 118.7479 52.9785 38.3549 175.2759 8 L 4.1465 8.3814 126.6632 56.2152 41.9445 177.7682 9 Q 3.9406 7.5287 120.6679 56.7234 29.6806 175.2193 10 G 3.6829 7.9580 110.5506 44.1426 0.0000 171.7236 11 Q 5.0653 8.1789 117.7480 54.0736 31.4065 175.1439 12 W 5.5888 9.4522 122.3121 54.9499 33.9015 174.3902 13 R 5.7647 9.8807 118.2635 53.5947 32.9790 174.0964 14 N 5.4330 8.3694 117.5117 50.1283 40.2100 175.4040 15 K 4.1565 8.5586 117.0764 58.8721 32.2195 178.5813 16 L 4.0815 7.9642 117.5391 55.9381 41.8458 177.8177 17 G 4.0008 8.1377 106.7635 44.8996 0.0000 173.8603 18 S 4.4502 8.1915 115.9168 58.4060 64.4893 172.8356 19 N 5.3900 9.4019 120.4444 51.3837 41.7914 173.2420 20 L 4.5323 9.1289 125.7026 53.1758 44.7154 174.8868 21 I 4.8710 8.6156 127.8247 59.6471 39.8128 174.5928 22 I 4.6572 8.7073 128.6552 59.4366 39.8610 176.0330 23 E 4.5441 8.9388 127.3308 54.8985 31.2406 176.5011 24 S 4.3166 8.5453 115.4294 58.6098 63.1531 174.8641 25 V 4.0091 8.2076 124.8719 62.4117 32.1005 176.0131 26 S 4.4989 9.1037 124.0275 57.7500 63.5097 175.0550 27 Q 3.9653 8.7223 119.8978 59.1352 27.9665 177.4201 28 N 4.6753 8.2792 113.0531 52.3059 37.8364 175.7607 29 G 4.2205 8.4579 107.8454 46.5203 0.0000 173.2071 30 E 4.4707 8.6141 122.0866 56.0354 30.8888 175.5104 31 F 5.2653 8.4515 120.1952 55.5598 42.2350 172.8781 32 T 4.9741 8.7219 113.1809 60.0909 71.6041 172.8085 33 G 3.7228 7.3471 108.5248 46.3712 0.0000 171.4734 34 T 5.1467 7.9262 115.5729 62.0857 73.4927 172.5238 35 Y 4.8727 9.4770 126.6501 55.6521 41.9003 173.7830 36 F 5.7308 9.1665 128.9556 55.9144 41.9188 173.5918 37 T 4.8604 8.4711 120.1990 59.8158 69.2028 173.8805 38 S 4.3002 8.5231 121.6089 58.9482 64.2111 174.9464 39 V 4.1531 6.8253 111.7505 60.3446 32.9404 174.7938 40 S 4.3403 7.6588 113.0739 57.3585 64.6048 174.7866 41 L 3.9248 8.1296 123.9998 56.5329 41.4799 177.2733 *46 I 4.0664 7.4766 119.3716 61.1518 37.7211 174.8652 47 R 4.9211 8.6385 123.6680 54.5062 33.5717 174.2814 48 I 5.1251 8.7956 124.7595 60.0212 38.8953 175.3175 49 S 4.9506 9.0789 122.7065 55.9553 67.1425 172.0105 50 P 5.0902 0.0000 0.0000 62.5328 32.9938 174.7603 51 L 5.7114 8.6154 120.0325 53.5401 44.4717 175.0247 52 T 4.5636 8.0064 113.2142 61.0721 71.2613 173.2857 53 G 4.0293 7.3914 111.8661 46.3918 0.0000 171.4874 54 Y 5.4241 8.1562 116.2783 56.2784 42.6928 174.6150 55 Q 5.4594 9.4303 119.8550 54.2505 32.0409 175.2986 56 K 4.2032 9.0603 120.7267 56.4619 32.9996 176.8582 57 L 4.5559 8.4117 120.6500 54.8510 41.7922 176.7506 58 T 4.4636 7.4363 109.3805 59.4992 70.7420 173.8021 59 E 3.8949 8.4905 122.7465 57.3493 30.5642 176.4727 60 K 4.0970 8.8702 123.4645 55.9747 29.1886 173.7091 61 P 4.5799 0.0000 0.0000 62.8498 33.1720 178.1893 62 T 4.7334 8.5348 113.0095 62.0477 70.7779 172.6852 63 F 5.3801 8.3983 116.0137 56.8342 41.8134 172.8170 64 G 4.8516 9.4905 105.6064 45.6230 0.0000 171.9101 65 F 5.4935 8.9793 115.0804 56.0537 42.0069 172.8657 66 T 5.1261 8.9741 116.4951 61.8757 71.4503 173.2914 67 V 4.4099 8.9227 126.1698 61.5683 33.6632 174.4445 68 H 4.8986 8.3686 129.2274 53.7539 28.5250 172.7839 69 W 4.6289 7.9394 118.3112 56.6336 29.5415 175.8555 70 A 3.9556 9.3574 128.1491 53.1128 18.4882 177.1242 71 F 4.3976 8.1142 118.0355 57.8857 36.7136 175.2109 72 S 4.6636 7.5607 111.3247 57.8086 65.3626 173.2565 73 D 4.8052 8.6185 123.1569 54.4751 39.9748 176.7697 74 S 4.9952 8.0321 116.7744 57.8563 65.2666 173.1737 75 I 5.1580 8.6960 121.0493 60.1564 41.5388 174.6752 76 T 5.0539 8.4794 121.7900 61.8163 72.1425 173.3689 77 V 4.9990 8.4848 118.0466 59.4045 35.2250 174.7714 78 W 5.3094 9.0225 123.2433 55.2686 32.9727 174.3884 79 T 4.8877 8.9420 116.8355 60.9934 71.1217 173.1950 80 G 4.0537 7.4166 111.9995 46.1753 0.0000 171.4972 81 Q 4.9769 8.3792 119.6082 54.4836 32.9921 173.3534 82 C 5.3347 8.9727 125.7652 55.6039 44.1059 172.3852 83 F 5.3667 9.0923 123.4435 55.6824 43.4714 173.6233 84 L 5.0713 8.6609 120.6972 53.6741 42.7490 177.2484 85 N 4.7596 9.3107 122.7764 52.2084 38.6245 175.4739 86 E 4.0189 8.6861 116.6176 59.3938 29.5121 178.2426 87 K 4.1717 8.2757 116.0866 56.7187 32.3608 177.6598 88 G 4.0063 8.5213 108.1809 44.7391 0.0000 173.0854 89 E 4.7373 7.9702 117.4652 54.3848 32.4764 175.1005 90 E 4.8231 8.7613 121.2278 56.7333 30.4896 176.3637 91 I 5.0510 9.2261 125.0367 59.5856 41.4879 174.3421 92 L 4.9147 8.9809 126.7895 53.8869 43.3921 175.3091 93 H 5.3461 9.3088 122.8213 54.9675 30.2811 174.6795 94 T 5.3874 9.2416 113.4527 60.2341 72.5019 172.8222 95 M 5.3783 9.1469 121.7052 53.4602 36.4299 174.5552 96 W 5.4990 8.5632 117.2465 54.8571 32.4319 173.6496 97 L 5.2396 8.7820 120.7294 52.9373 44.6050 175.1517 98 L 4.8980 9.3312 126.5514 53.4381 44.2467 174.7635 99 R 5.0101 9.3096 128.4757 55.0589 31.5991 175.1617 100 S 5.0912 8.8504 121.4573 56.5608 66.0181 173.1903 101 S 4.3704 8.5311 117.0106 58.2499 62.5829 173.5364 102 Q 4.5181 8.5231 126.1052 54.6071 30.1757 175.8613 103 E 4.1850 8.5946 120.1453 58.6699 30.2021 177.2934 104 K 4.6662 7.5035 115.8516 53.9341 35.8537 176.3812 105 E 3.9654 8.9487 120.9995 59.5540 29.3209 179.0983 106 Q 4.2142 8.1408 115.8994 58.6230 28.9054 177.0939 107 D 4.7329 7.9660 119.7210 54.2824 41.1297 177.3556 108 N 4.2391 8.2386 120.1116 56.4415 38.6416 176.4515 109 W 4.2540 8.3643 116.0679 59.2238 28.0721 176.3189 110 T 3.5621 6.7028 111.3212 61.5909 66.7530 174.8524 111 G 3.7911 7.9844 109.0884 46.3997 0.0000 173.2338 112 T 4.9381 7.4881 116.0596 61.8612 71.2930 173.6891 113 R 4.7336 9.0208 126.4372 54.8934 32.4828 176.0785 114 V 4.4792 7.7279 119.8872 60.3141 34.9390 174.4577 115 G 2.9323 6.5010 107.1815 45.4147 0.0000 171.6627 116 A 5.2587 8.1190 120.0709 50.4242 22.3182 175.3695 117 N 5.2780 9.3412 116.5191 52.1778 43.5769 173.4216 118 T 5.3033 8.5342 111.0504 60.3144 71.4824 173.1771 119 F 5.3588 9.4962 124.0958 56.1122 42.0022 174.7685 120 T 5.3869 9.0599 111.5364 59.7097 72.4514 173.4102 121 R 3.9215 8.4607 121.4035 55.9439 30.9501 176.9404 122 L 4.1121 7.9090 121.6874 55.1180 41.6489 176.9262 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 4 Q 8.34 4.43 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.49 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 K 7.90 4.48 0.00 1.77 1.75 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 C 8.45 4.04 0.00 3.10 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 7 N 8.05 4.56 0.00 2.73 2.71 0.00 0.00 7.08 6.66 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 8 L 8.38 4.15 0.00 1.42 1.09 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.53 3.94 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.34 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 10 G 7.96 3.68 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 0.00 0.00 0.00 11 Q 8.18 5.07 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 12 W 9.45 5.59 0.00 3.03 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 13 R 9.88 5.76 0.00 1.94 2.06 0.00 3.05 0.00 0.00 3.35 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 14 N 8.37 5.43 0.00 2.42 1.68 0.00 0.00 6.75 6.68 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 15 K 8.56 4.16 0.00 1.79 1.94 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.48 7.81 16 L 7.96 4.08 0.00 1.88 1.75 1.01 1.02 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 17 G 8.14 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 18 S 8.19 4.45 0.00 4.13 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 19 N 9.40 5.39 0.00 2.76 2.72 0.00 0.00 6.62 5.12 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 20 L 9.13 4.53 0.00 1.25 1.33 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.62 4.87 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.85 0.00 0.00 22 I 8.71 4.66 1.82 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.40 0.30 0.00 0.00 23 E 8.94 4.54 0.00 1.92 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 2.29 2.25 0.00 24 S 8.55 4.32 0.00 3.85 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 25 V 8.21 4.01 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 0.95 0.00 0.00 1.00 0.00 0.00 26 S 9.10 4.50 0.00 4.13 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 27 Q 8.72 3.97 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 28 N 8.28 4.68 0.00 2.91 3.00 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.46 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 0.00 0.00 0.00 30 E 8.61 4.47 0.00 2.12 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 2.07 1.80 0.00 31 F 8.45 5.27 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.97 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 1.32 0.00 0.00 33 G 7.35 3.72 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 0.00 0.00 0.00 34 T 7.93 5.15 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 1.25 0.00 0.00 35 Y 9.48 4.87 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 36 F 9.17 5.73 0.00 3.07 2.87 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 37 T 8.47 4.86 4.79 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 1.24 0.00 0.00 38 S 8.52 4.30 0.00 3.78 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 39 V 6.83 4.15 2.01 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 0.62 0.00 0.00 0.86 0.00 0.00 40 S 7.66 4.34 0.00 3.65 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 41 L 8.13 3.92 0.00 1.56 1.62 0.81 0.77 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 *46 I 7.48 4.07 1.99 0.00 0.00 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 1.51 0.90 1.24 0.00 0.00 47 R 8.64 4.92 0.00 1.94 2.13 0.00 3.20 0.00 0.00 3.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 48 I 8.80 5.13 2.00 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 1.46 0.77 0.98 0.00 0.00 49 S 9.08 4.95 0.00 3.74 3.78 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 50 P 0.00 5.09 0.00 2.08 2.13 0.00 3.78 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 2.02 1.90 0.00 51 L 8.62 5.71 0.00 1.89 1.69 0.80 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 4.56 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 1.11 0.00 0.00 53 G 7.39 4.03 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 0.00 0.00 0.00 54 Y 8.16 5.42 0.00 2.88 2.80 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 55 Q 9.43 5.46 0.00 2.23 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 56 K 9.06 4.20 0.00 1.85 1.82 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.49 7.81 57 L 8.41 4.56 0.00 1.65 1.69 0.98 0.90 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 58 T 7.44 4.46 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 1.22 0.00 0.00 59 E 8.49 3.89 0.00 1.97 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 2.32 2.36 0.00 60 K 8.87 4.10 0.00 1.87 1.54 0.00 2.13 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 61 P 0.00 4.58 0.00 2.21 2.36 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 62 T 8.53 4.73 4.17 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 1.15 0.00 0.00 63 F 8.40 5.38 0.00 3.56 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 64 G 9.49 4.85 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 65 F 8.98 5.49 0.00 3.21 3.10 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 0.00 0.00 0.00 66 T 8.97 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 1.19 0.00 0.00 67 V 8.92 4.41 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 0.60 0.00 0.00 68 H 8.37 4.90 0.00 3.09 3.12 0.00 6.02 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 7.94 4.63 0.00 3.39 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 70 A 9.36 3.96 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 71 F 8.11 4.40 0.00 3.25 3.11 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 72 S 7.56 4.66 0.00 3.69 3.79 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 73 D 8.62 4.81 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 74 S 8.03 5.00 0.00 3.82 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 75 I 8.70 5.16 1.91 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 1.29 1.07 0.90 0.00 0.00 76 T 8.48 5.05 4.09 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 -0.25 0.00 0.00 77 V 8.48 5.00 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 0.72 0.00 0.00 0.95 0.00 0.00 78 W 9.02 5.31 0.00 2.03 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 79 T 8.94 4.89 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 1.17 0.00 0.00 80 G 7.42 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 81 Q 8.38 4.98 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.80 0.00 0.00 0.00 0.00 0.00 1.23 2.12 0.00 82 C 8.97 5.33 0.00 3.05 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 83 F 9.09 5.37 0.00 3.07 2.91 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 84 L 8.66 5.07 0.00 1.63 1.69 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.31 4.76 0.00 2.95 3.08 0.00 0.00 6.56 7.64 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 86 E 8.69 4.02 0.00 1.98 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 0.00 2.33 2.41 0.00 87 K 8.28 4.17 0.00 1.87 1.87 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 88 G 8.52 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 0.00 0.00 0.00 89 E 7.97 4.74 0.00 2.08 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 2.55 2.38 0.00 90 E 8.76 4.82 0.00 2.07 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 2.45 2.44 0.00 91 I 9.23 5.05 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 1.00 0.00 0.00 92 L 8.98 4.91 0.00 1.75 1.78 -0.55 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 93 H 9.31 5.35 0.00 3.37 3.37 0.00 5.55 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 9.24 5.39 4.76 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 1.83 0.00 0.00 95 M 9.15 5.38 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 96 W 8.56 5.50 0.00 2.51 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 0.00 0.00 0.00 0.00 97 L 8.78 5.24 0.00 1.56 1.57 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.33 4.90 0.00 1.62 1.78 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 R 9.31 5.01 0.00 1.93 1.91 0.00 3.34 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 100 S 8.85 5.09 0.00 3.86 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 0.00 101 S 8.53 4.37 0.00 4.06 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 0.00 102 Q 8.52 4.52 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 103 E 8.59 4.19 0.00 1.95 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 2.30 2.23 0.00 104 K 7.50 4.67 0.00 1.89 1.85 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.45 7.81 105 E 8.95 3.97 0.00 2.04 2.01 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 2.40 2.33 0.00 106 Q 8.14 4.21 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 107 D 7.97 4.73 0.00 2.83 2.58 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 0.00 108 N 8.24 4.24 0.00 2.97 2.89 0.00 0.00 6.89 7.42 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 0.00 109 W 8.36 4.25 0.00 3.60 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 0.00 110 T 6.70 3.56 2.69 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 0.00 0.00 0.00 0.75 0.00 0.00 111 G 7.98 3.79 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 0.00 0.00 0.00 112 T 7.49 4.94 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 1.20 0.00 0.00 113 R 9.02 4.73 0.00 1.93 2.03 0.00 3.10 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 114 V 7.73 4.48 1.91 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 0.54 0.00 0.00 0.64 0.00 0.00 115 G 6.50 2.93 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 0.00 116 A 8.12 5.26 1.16 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 0.00 0.00 117 N 9.34 5.28 0.00 3.05 2.52 0.00 0.00 6.63 6.81 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 0.00 118 T 8.53 5.30 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 1.38 0.00 0.00 119 F 9.50 5.36 0.00 2.87 3.20 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 0.00 120 T 9.06 5.39 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 121 R 8.46 3.92 0.00 1.42 1.49 0.00 2.83 0.00 0.00 2.67 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.58 0.00 122 L 7.91 4.11 0.00 1.55 1.50 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.