NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5594 8.1933 115.3709 57.6850 64.6487 174.4991 2 L 4.0257 7.9904 120.4707 56.9557 41.0107 178.5589 3 W 4.4694 8.6149 120.2883 59.9635 29.5829 178.0210 4 Q 4.1629 7.9963 116.7137 58.8377 28.0903 178.4574 5 F 4.6732 8.3792 121.8227 61.3119 39.4801 177.4550 6 G 3.6273 8.2743 105.2312 47.8557 0.0000 175.9180 7 K 4.1808 8.0606 121.1651 59.2007 31.8296 179.2592 8 M 4.1458 8.0701 118.3056 58.6367 32.1757 178.3596 9 I 3.7009 7.6950 120.0121 64.5625 37.0509 178.2713 10 N 4.5723 7.8939 115.6626 56.3353 38.3838 176.5951 11 Y 4.2215 7.6993 120.1842 60.4945 38.9539 177.6621 12 V 3.7730 7.5570 118.0265 64.9768 32.1751 176.4567 13 M 4.1693 8.2228 116.4112 55.5890 33.1936 175.6712 *15 G 4.2800 7.6646 109.3517 45.4956 0.0000 174.0689 *16 E 4.0019 8.7366 114.3699 58.5016 29.6601 176.1453 17 S 4.7398 7.9852 111.7837 58.7229 63.0758 175.8568 18 G 3.8155 8.0848 109.4219 48.1887 0.0000 176.2523 19 V 3.6917 7.8347 120.9927 65.5038 31.3399 177.8293 20 L 4.1933 7.9683 118.3549 58.3989 42.0728 178.5401 21 Q 4.1315 7.9446 117.0950 57.8393 28.6839 176.9225 22 Y 4.5488 7.3314 113.7283 57.4264 38.9762 176.9526 23 L 4.3889 7.7607 122.2438 56.7676 42.5772 176.6679 24 S 4.3549 7.2492 112.9824 57.3167 63.9626 171.8465 25 Y 4.9619 8.2614 128.6559 57.0107 42.3009 174.8932 26 G 3.4584 7.7659 115.7275 46.9726 0.0000 173.3643 27 C 4.5905 9.0345 116.0127 57.6277 41.0338 174.5731 28 Y 4.0639 8.1691 115.0191 57.8324 39.8085 175.0879 29 C 4.5635 8.3703 118.1551 58.0954 39.9039 173.7726 30 G 4.0929 8.3005 112.1542 43.4555 0.0000 170.6117 31 L 4.1078 8.0408 122.7411 55.4860 42.4170 177.7489 32 G 3.8686 8.5673 114.9271 44.9048 0.0000 172.0276 33 G 3.9056 7.5731 108.9702 45.5051 0.0000 171.0947 34 Q 4.5233 7.0461 116.6783 55.8104 32.3508 176.2837 35 G 4.0260 8.6155 105.1646 46.1883 0.0000 173.2215 36 Q 4.6861 8.3461 121.8794 52.9895 31.8109 173.6143 37 P 4.6854 0.0000 0.0000 62.8723 32.0705 176.8838 38 T 3.8054 8.6100 112.6576 64.3533 69.3629 173.7015 39 D 4.4555 7.1980 118.7136 51.4150 41.1898 174.8892 40 A 4.0277 8.7397 119.4128 56.0997 18.0094 180.0867 41 T 3.9633 7.9177 113.7892 66.9339 68.1001 176.3313 42 D 4.6963 8.4210 119.4619 57.3034 41.2075 178.2427 43 R 4.0069 7.9918 119.1734 59.3804 29.8065 177.7672 44 C 4.3271 8.0561 115.5933 60.3376 34.8606 175.4182 45 C 4.2763 8.0804 118.0276 59.3936 33.9384 176.0175 46 F 3.8121 7.9644 121.9380 61.1863 38.9679 177.3609 47 V 3.3693 7.6334 117.4816 66.0929 31.3787 177.4561 48 H 3.8884 7.8468 117.9271 59.2345 29.4266 177.0514 49 D 4.2320 7.8111 120.3803 57.5459 40.4162 178.1558 50 C 4.1243 7.3947 115.5703 59.7912 40.1259 175.1295 51 C 4.3085 7.7130 119.4742 59.9721 40.1393 175.0478 52 Y 4.2742 7.8380 117.9336 60.8698 36.8223 178.6482 53 G 3.5221 7.8555 106.1696 47.0933 0.0000 175.2399 *57 K 4.3780 7.8164 117.7177 55.8259 34.0750 175.9985 58 V 3.7891 7.3945 120.0453 62.4362 31.7995 175.2143 59 T 4.4883 8.5280 116.7859 60.7841 70.9417 173.4094 60 G 4.0927 9.1882 114.3219 45.4337 0.0000 171.9424 61 C 4.7550 7.7819 112.7871 53.3898 40.6583 172.4321 *67 D 4.5955 8.2469 117.7178 53.5049 41.0618 174.4125 68 P 4.0439 0.0000 0.0000 65.0112 31.9636 178.0638 69 K 4.0224 8.3251 119.9473 58.5914 32.2135 178.2739 70 I 4.2686 7.4387 109.2402 61.2603 39.2203 175.5199 71 D 4.5451 7.7430 121.4270 53.8702 41.2493 176.0192 72 S 4.4647 8.5343 120.2763 57.9801 63.8431 173.2982 73 Y 4.9126 7.6373 122.6647 55.5073 40.5773 174.1879 74 T 4.9514 8.5915 115.5371 62.2470 71.1624 173.2605 75 Y 5.5319 8.5783 123.4046 55.7527 41.7245 173.9910 76 S 4.5974 8.9588 113.3706 56.7176 67.3059 172.7045 77 K 4.7086 8.6436 122.3409 55.2903 33.9980 176.9443 *78 K 4.3708 9.0246 127.5657 52.9034 32.9041 172.1078 79 N 4.4061 9.9639 125.2258 53.4851 36.2637 175.5403 80 G 4.1189 8.1121 107.2304 46.5525 0.0000 174.1286 81 D 4.8544 8.3106 120.7700 52.5171 41.9802 175.6019 82 V 4.3641 8.3884 124.9831 62.5854 32.7799 175.2660 83 V 4.5111 8.5508 126.8309 61.3255 34.5945 173.6938 84 C 4.8413 8.9632 125.1123 56.5968 41.1194 173.6528 85 G 3.7803 8.5433 110.8420 47.2610 0.0000 172.5932 86 G 4.1592 9.3267 108.7052 45.6663 0.0000 172.4537 87 D 4.7935 8.3335 115.0631 52.6567 40.3083 175.1719 88 D 4.5561 7.8256 120.9759 52.7676 41.8091 174.6989 *90 P 4.3561 0.0000 0.0000 62.7962 33.3097 179.4070 91 C 4.2906 8.2972 117.1468 59.6981 39.4912 175.8637 92 K 3.9884 8.1684 119.6190 59.1964 31.8240 179.1546 93 K 3.9146 7.9205 120.3339 59.1853 31.8200 178.7063 94 Q 3.9180 7.7489 119.1278 59.1441 28.8396 178.3367 95 I 3.7014 7.3587 119.6005 64.4890 37.1608 177.5044 96 C 3.1283 7.4900 119.3291 59.4271 37.9773 175.5584 97 E 3.7859 7.8837 119.6777 59.4461 28.7259 178.6519 98 C 4.2083 7.8184 116.4927 60.0349 39.2529 175.9724 99 D 4.0235 7.6702 120.5503 57.1386 40.1986 178.7893 100 R 3.8327 7.8154 119.1973 59.4769 29.9463 178.6971 101 V 3.5751 7.5968 117.5065 65.9458 31.5674 177.8708 102 A 3.6221 7.5356 119.4710 54.9753 17.7914 179.7258 103 T 3.5887 7.4132 107.5168 65.0658 68.9251 177.0696 104 T 3.9092 7.4678 117.2426 66.2752 68.2132 176.0728 105 C 4.2937 7.5242 119.9873 59.4293 42.4553 175.2718 106 F 4.5589 7.7382 119.1885 60.6342 38.2257 177.5930 107 R 3.9406 7.5078 116.6799 59.6291 30.0217 178.1303 108 D 4.5849 7.9617 116.5575 56.1763 40.8651 176.8541 109 N 5.0118 7.6253 115.0705 52.6670 39.0904 176.2150 110 K 3.9847 8.2569 122.8891 59.4797 32.2756 178.2192 111 D 4.5397 8.1870 116.7681 55.1455 39.5168 176.6096 112 T 4.5534 7.4720 108.8319 61.1557 69.3025 173.6174 113 Y 4.1314 7.7708 123.7168 58.0873 39.5164 174.7665 114 D 4.8918 8.6662 125.9537 52.1462 43.6961 176.2911 115 I 3.9303 8.4405 126.5952 63.1783 38.2739 177.4042 116 K 3.9975 7.9985 118.5147 59.1185 32.6662 177.1705 117 Y 4.2117 7.2152 116.2018 57.3813 38.4363 175.0927 118 W 4.4471 7.7747 131.5978 58.2698 31.6460 176.0116 119 F 3.3978 7.7763 125.0486 58.8633 36.2075 175.0810 120 Y 4.2812 7.7294 123.4967 61.3742 39.4765 175.2405 121 G 4.0644 8.0037 105.0405 43.9755 0.0000 173.5617 122 A 4.1813 8.6275 125.1483 54.0272 19.3724 180.5472 *123 K 4.0309 7.7589 116.8456 57.2192 31.9666 183.3310 *125 N 5.0171 7.8994 111.9868 53.6573 40.1639 175.1523 126 C 5.0878 7.8166 114.6507 56.8098 40.7377 174.4903 127 Q 4.3472 7.9645 115.3477 55.7523 29.0866 176.2652 128 E 4.2761 7.8304 118.1661 54.9445 30.4582 176.2507 129 K 3.9813 8.4023 121.5026 56.6644 32.4825 176.5492 130 S 4.7069 8.5420 122.5064 58.1239 63.5152 173.7049 131 E 4.1565 8.7653 125.4679 55.5555 30.0431 174.6122 132 P 4.6087 0.0000 0.0000 62.2486 32.5329 177.1735 133 C 4.5407 8.7589 119.2373 57.4608 41.1527 173.7106 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 S 8.19 4.56 0.00 4.15 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 0.00 2 L 7.99 4.03 0.00 1.39 1.67 0.90 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 3 W 8.61 4.47 0.00 3.39 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 4 Q 8.00 4.16 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 5 F 8.38 4.67 0.00 3.19 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 6 G 8.27 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 7 K 8.06 4.18 0.00 2.04 2.03 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.72 7.81 8 M 8.07 4.15 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 9 I 7.69 3.70 1.75 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.13 0.82 0.00 0.00 10 N 7.89 4.57 0.00 2.79 2.95 0.00 0.00 7.03 7.58 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 11 Y 7.70 4.22 0.00 2.98 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 12 V 7.56 3.77 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 0.90 0.00 0.00 1.13 0.00 0.00 13 M 8.22 4.17 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 *15 G 7.66 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 0.00 0.00 0.00 0.00 *16 E 8.74 4.00 0.00 2.00 1.90 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 2.23 1.92 0.00 17 S 7.99 4.74 0.00 3.81 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 18 G 8.08 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 19 V 7.83 3.69 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 1.07 0.00 0.00 1.01 0.00 0.00 20 L 7.97 4.19 0.00 1.79 1.93 1.29 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.94 4.13 0.00 1.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.01 2.33 0.00 22 Y 7.33 4.55 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.39 0.00 1.87 1.77 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.25 4.35 0.00 3.20 2.63 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 25 Y 8.26 4.96 0.00 2.87 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 26 G 7.77 3.46 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 0.00 27 C 9.03 4.59 0.00 3.02 3.07 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 0.00 0.00 0.00 28 Y 8.17 4.06 0.00 3.21 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 29 C 8.37 4.56 0.00 3.33 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 30 G 8.30 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 0.00 0.00 0.00 0.00 31 L 8.04 4.11 0.00 1.67 1.64 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.57 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 0.00 0.00 0.00 33 G 7.57 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 34 Q 7.05 4.52 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.16 2.38 0.00 35 G 8.62 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 36 Q 8.35 4.69 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 37 P 0.00 4.69 0.00 1.91 1.93 0.00 3.51 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 38 T 8.61 3.81 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 0.62 0.00 0.00 39 D 7.20 4.46 0.00 2.84 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 40 A 8.74 4.03 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 41 T 7.92 3.96 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 0.93 0.00 0.00 42 D 8.42 4.70 0.00 3.03 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 43 R 7.99 4.01 0.00 2.00 2.11 0.00 3.15 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 44 C 8.06 4.33 0.00 3.40 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 45 C 8.08 4.28 0.00 3.42 3.36 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 46 F 7.96 3.81 0.00 2.70 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 47 V 7.63 3.37 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 0.86 0.00 0.00 0.98 0.00 0.00 48 H 7.85 3.89 0.00 3.13 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.81 4.23 0.00 2.87 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 50 C 7.39 4.12 0.00 2.80 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 51 C 7.71 4.31 0.00 2.98 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 52 Y 7.84 4.27 0.00 3.09 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 53 G 7.86 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 7.82 4.38 0.00 1.88 1.90 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.36 7.81 58 V 7.39 3.79 2.17 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 0.74 0.00 0.00 0.89 0.00 0.00 59 T 8.53 4.49 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 1.19 0.00 0.00 60 G 9.19 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 0.00 0.00 0.00 0.00 61 C 7.78 4.75 0.00 3.21 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 *67 D 8.25 4.60 0.00 2.68 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 68 P 0.00 4.04 0.00 1.22 0.73 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 69 K 8.33 4.02 0.00 1.76 1.84 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.28 7.81 70 I 7.44 4.27 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.91 0.00 0.00 71 D 7.74 4.55 0.00 2.84 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 72 S 8.53 4.46 0.00 3.85 3.75 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 73 Y 7.64 4.91 0.00 3.03 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 74 T 8.59 4.95 4.33 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 1.25 0.00 0.00 75 Y 8.58 5.53 0.00 3.07 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 76 S 8.96 4.60 0.00 3.82 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 77 K 8.64 4.71 0.00 1.44 1.58 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.34 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 1.24 7.81 *78 K 9.02 4.37 0.00 1.63 1.68 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.20 7.81 79 N 9.96 4.41 0.00 2.93 2.99 0.00 0.00 6.52 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 80 G 8.11 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 81 D 8.31 4.85 0.00 2.95 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 82 V 8.39 4.36 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 0.76 0.00 0.00 1.05 0.00 0.00 83 V 8.55 4.51 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 0.94 0.00 0.00 0.96 0.00 0.00 84 C 8.96 4.84 0.00 2.95 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 85 G 8.54 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 0.00 0.00 0.00 86 G 9.33 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 0.00 0.00 0.00 0.00 87 D 8.33 4.79 0.00 2.74 2.74 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 88 D 7.83 4.56 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.23 2.11 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.30 4.29 0.00 3.01 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 92 K 8.17 3.99 0.00 1.89 1.95 0.00 1.75 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.52 7.81 93 K 7.92 3.91 0.00 1.85 1.78 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.40 7.81 94 Q 7.75 3.92 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 95 I 7.36 3.70 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 1.27 0.63 0.97 0.00 0.00 96 C 7.49 3.13 0.00 2.01 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 97 E 7.88 3.79 0.00 2.11 1.90 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 2.24 2.43 0.00 98 C 7.82 4.21 0.00 3.08 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 99 D 7.67 4.02 0.00 2.72 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 0.00 100 R 7.82 3.83 0.00 1.78 1.83 0.00 3.24 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 101 V 7.60 3.58 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 0.87 0.00 0.00 0.88 0.00 0.00 102 A 7.54 3.62 1.03 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 0.00 103 T 7.41 3.59 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 1.30 0.00 0.00 104 T 7.47 3.91 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 1.18 0.00 0.00 105 C 7.52 4.29 0.00 2.94 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 0.00 106 F 7.74 4.56 0.00 3.00 2.51 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 0.00 107 R 7.51 3.94 0.00 1.81 2.09 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 108 D 7.96 4.58 0.00 2.73 2.74 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 0.00 109 N 7.63 5.01 0.00 2.84 2.86 0.00 0.00 6.44 6.99 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 0.00 110 K 8.26 3.98 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.45 7.81 111 D 8.19 4.54 0.00 2.85 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 0.00 112 T 7.47 4.55 4.32 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 1.26 0.00 0.00 113 Y 7.77 4.13 0.00 2.93 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 0.00 114 D 8.67 4.89 0.00 2.74 2.46 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 0.00 115 I 8.44 3.93 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.27 0.92 0.00 0.00 116 K 8.00 4.00 0.00 1.70 1.70 0.00 0.97 0.00 0.00 1.40 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.74 0.21 7.81 117 Y 7.22 4.21 0.00 1.86 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 0.00 0.00 0.00 0.00 118 W 7.77 4.45 0.00 3.18 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 0.00 119 F 7.78 3.40 0.00 2.72 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 0.00 120 Y 7.73 4.28 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 0.00 121 G 8.00 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 0.00 0.00 0.00 0.00 122 A 8.63 4.18 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 *123 K 7.76 4.03 0.00 1.70 1.83 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.03 7.81 *125 N 7.90 5.02 0.00 2.17 2.69 0.00 0.00 7.07 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 0.00 126 C 7.82 5.09 0.00 2.90 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 0.00 127 Q 7.96 4.35 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 128 E 7.83 4.28 0.00 1.97 1.90 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 2.32 2.30 0.00 129 K 8.40 3.98 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 130 S 8.54 4.71 0.00 3.88 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 0.00 131 E 8.77 4.16 0.00 1.82 1.55 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 2.17 2.22 0.00 132 P 0.00 4.61 0.00 2.02 2.00 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 133 C 8.76 4.54 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.