NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4256 8.3349 115.2782 58.6653 63.4743 173.3389 0 H 4.8909 8.6318 124.0558 55.5729 30.1497 171.9464 1 M 5.0225 8.9182 119.2901 53.7713 35.0121 175.2080 2 K 5.0731 8.9437 120.8336 54.6149 37.1204 174.8581 3 L 4.8301 9.1450 126.0645 53.9857 43.9667 175.1000 4 I 4.6728 8.6049 127.6813 60.3573 39.1017 174.7008 5 T 4.6927 8.5737 123.8409 61.4029 71.2793 172.7748 6 A 4.8731 8.6644 128.8107 50.0196 21.8800 174.8681 7 I 4.6823 8.7401 124.6201 59.9916 38.8756 175.4304 8 V 4.9407 8.5279 119.8661 58.8287 36.7107 175.6242 9 K 4.1568 8.2093 121.4082 55.7427 32.3619 176.6916 10 P 4.2181 0.0000 0.0000 65.5727 31.3890 178.0655 11 F 4.5735 7.6292 111.0926 58.5639 38.3818 176.4961 12 T 4.2889 7.4311 112.0855 62.1040 68.7464 176.1826 13 L 3.8768 7.4419 123.4689 58.5561 42.1287 178.5427 14 D 4.4106 8.0289 118.2375 57.4669 40.9457 177.9104 15 D 4.4231 8.2429 119.0344 57.7965 40.8403 179.4696 16 V 3.5744 8.0031 118.5301 65.6399 31.4861 177.8472 17 K 3.8901 8.9031 120.8855 59.8288 31.9332 178.8562 18 T 3.8794 8.3006 110.4426 64.8733 68.1058 176.2727 19 S 4.0854 8.1636 115.9936 61.1412 62.2861 176.2221 20 L 4.0401 8.0519 121.6789 57.7424 41.2513 179.2591 21 E 4.1836 7.9434 119.5396 59.0621 29.1927 179.1815 22 D 4.3729 7.8200 117.4724 56.5294 40.8503 177.5268 23 A 4.5107 7.3497 118.8237 51.3065 18.7721 177.6564 24 G 3.7872 7.9030 105.9717 46.6289 0.0000 173.9218 25 V 4.0684 7.8602 120.6411 61.1808 31.7709 175.0850 26 L 4.2975 7.9258 129.3848 56.3334 42.0309 177.8047 27 G 3.8538 7.8782 111.0218 46.4385 0.0000 171.9408 28 M 4.6482 7.9021 114.8726 54.4629 33.9204 173.6084 29 T 4.5956 8.6826 115.4080 60.3279 69.9849 172.9843 30 V 5.0632 8.4054 128.0023 61.1355 34.4034 174.5103 31 S 4.8151 8.8734 121.0462 56.4434 66.8648 172.8659 32 E 4.7920 8.7834 121.2896 56.2983 30.2503 175.9435 33 I 4.7177 8.8066 116.7268 59.2323 41.9599 173.9418 34 Q 4.9682 8.6969 121.1682 54.2130 30.5537 175.4475 35 G 4.1682 9.5530 112.9046 44.9501 0.0000 171.6409 36 Y 4.6281 8.9973 123.8390 56.8846 38.7408 174.3731 37 G 4.3802 8.9128 114.7157 46.0061 0.0000 173.4413 38 R 4.6850 7.3040 119.4239 53.8482 33.3584 174.4723 *54 D 4.6027 8.3093 119.9912 52.7129 40.5140 178.3271 55 F 4.4867 8.4486 107.2182 54.5690 41.3484 176.2194 56 V 4.3592 8.4809 119.5616 60.2299 34.0295 173.1167 57 P 4.9707 0.0000 0.0000 62.9379 31.9787 175.6281 58 K 4.7557 9.0756 121.9939 54.9761 37.3192 175.2826 59 V 4.6941 8.4571 114.4744 59.8964 34.3486 175.1020 60 R 4.8713 8.9442 125.2174 54.7891 32.0759 174.6218 61 I 4.8952 8.6253 127.6676 59.5202 39.9705 174.3687 62 E 5.2173 9.1812 126.7319 54.3887 32.7546 175.4276 63 V 4.6102 8.5715 123.4038 59.8856 34.8909 174.6216 64 V 4.4588 8.4382 124.7305 62.4482 32.4404 175.1931 65 V 4.6701 8.7893 119.9012 59.4946 36.8166 174.5937 66 D 4.8758 8.6030 121.7048 54.0640 41.0993 177.7902 67 D 4.4905 9.7193 124.4111 56.2951 39.0515 179.0644 68 S 4.2236 8.2025 114.9278 60.2652 63.2633 175.1050 69 I 4.3939 7.4817 114.0658 60.3048 38.0695 177.4492 70 V 3.6163 7.3297 115.0390 65.0857 31.4553 177.5196 71 D 4.4492 8.3350 120.1275 58.3895 40.7084 179.7408 72 K 4.0122 7.9983 123.2073 59.8437 31.7134 181.2918 73 V 3.8037 7.9539 118.8456 65.6984 31.4277 178.2840 74 V 3.5297 8.0828 118.4228 66.1997 31.3910 177.5779 75 D 4.3948 8.1369 118.7225 57.6191 40.5025 179.1932 76 S 4.1953 8.1245 114.3374 61.0886 63.0562 176.6830 77 I 3.7052 7.7765 123.8978 64.3285 36.8129 178.4836 78 V 3.6398 7.9409 119.0792 65.8972 31.0511 178.3256 79 R 3.9364 7.9923 117.1832 58.9668 30.0813 178.4204 80 A 4.1406 7.7170 119.0991 54.0660 18.5469 178.5523 81 A 4.2992 7.5329 116.9991 51.7395 19.9232 177.3899 82 R 4.2984 7.0803 118.1802 56.1717 30.6991 176.1141 83 T 4.4848 8.9459 113.3650 60.5577 70.4355 175.2410 84 G 3.9551 8.7408 109.2074 45.1717 0.0000 173.1638 85 K 4.5450 7.2433 118.1111 54.1554 33.7603 176.6094 86 I 3.6851 8.0845 115.1584 62.7580 36.3808 176.1542 87 G 3.9457 8.9055 109.5758 46.0040 0.0000 175.1011 88 D 4.3775 7.9378 120.5161 55.5815 41.1933 176.9936 89 G 4.3643 8.2031 102.4286 45.2405 0.0000 172.3192 90 K 4.8319 8.2744 115.6338 54.8256 37.0043 175.5671 91 V 4.8651 8.5202 122.1036 60.8575 34.1432 174.4810 92 W 5.2841 9.2555 124.7041 54.6833 32.0988 173.9794 93 V 5.1640 8.6583 119.7504 61.2785 33.7522 174.6372 94 S 4.9830 9.0615 120.9015 55.8950 66.8101 171.4776 95 P 4.7010 0.0000 0.0000 62.8260 32.3096 175.6836 96 V 4.2648 8.1251 122.1107 61.3668 32.6853 175.1591 97 D 4.5465 8.9598 128.8330 57.4985 41.1045 177.1498 98 T 4.6605 7.3279 112.3318 62.2751 72.5664 172.5207 99 I 4.7527 8.1257 124.0269 59.2656 41.9707 173.7914 100 V 4.7087 8.2048 126.5563 60.9542 34.5843 174.6612 101 R 4.0941 9.1798 128.8292 55.9976 30.4998 177.4318 102 V 3.5803 8.5957 126.6561 66.0192 32.0515 177.0229 103 R 4.0501 8.1842 118.8247 58.9672 30.0287 176.9222 104 T 4.2840 8.0017 105.0836 60.9361 70.3343 175.4005 105 G 3.9422 8.5128 109.7313 45.0276 0.0000 173.4838 106 E 4.0912 7.8703 119.4447 56.4125 30.0595 176.1425 107 R 5.2422 7.5167 119.5579 53.6958 34.9706 178.7235 108 G 3.7301 8.2406 108.3224 46.8500 0.0000 175.8628 109 H 4.1300 8.9811 122.1877 59.0847 29.6880 176.6922 110 D 4.3973 8.0924 117.0985 56.4576 40.7667 177.0079 111 A 4.2131 7.6276 121.1023 53.5329 19.0783 177.3546 112 L 4.1784 7.5033 119.9262 55.0197 41.6968 176.6865 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 8.33 4.43 0.00 3.95 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 H 8.63 4.89 0.00 3.19 3.59 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.92 5.02 0.00 1.95 2.15 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 2.54 2.66 0.00 2 K 8.94 5.07 0.00 1.62 1.65 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.52 7.81 3 L 9.14 4.83 0.00 1.72 1.55 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.60 4.67 1.79 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 1.20 0.47 0.80 0.00 0.00 5 T 8.57 4.69 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 0.42 0.00 0.00 6 A 8.66 4.87 1.07 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 0.00 0.00 7 I 8.74 4.68 1.94 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 1.24 1.27 0.96 0.00 0.00 8 V 8.53 4.94 1.95 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 0.67 0.00 0.00 0.83 0.00 0.00 9 K 8.21 4.16 0.00 0.99 0.97 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.38 7.81 10 P 0.00 4.22 0.00 2.22 2.13 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 11 F 7.63 4.57 0.00 3.08 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 12 T 7.43 4.29 4.14 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 0.86 0.00 0.00 13 L 7.44 3.88 0.00 1.91 1.70 0.88 1.21 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 14 D 8.03 4.41 0.00 2.75 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 15 D 8.24 4.42 0.00 2.86 2.77 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 16 V 8.00 3.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 17 K 8.90 3.89 0.00 1.76 1.93 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 18 T 8.30 3.88 4.24 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 1.21 0.00 0.00 19 S 8.16 4.09 0.00 4.15 3.89 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 20 L 8.05 4.04 0.00 1.91 1.68 0.89 0.68 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 21 E 7.94 4.18 0.00 1.96 1.99 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 2.61 2.35 0.00 22 D 7.82 4.37 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 23 A 7.35 4.51 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 24 G 7.90 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 25 V 7.86 4.07 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 0.95 0.00 0.00 0.92 0.00 0.00 26 L 7.93 4.30 0.00 1.66 1.50 0.91 0.96 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 27 G 7.88 3.85 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 28 M 7.90 4.65 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 29 T 8.68 4.60 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 1.26 0.00 0.00 30 V 8.41 5.06 2.06 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 0.87 0.00 0.00 0.90 0.00 0.00 31 S 8.87 4.82 0.00 3.87 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 32 E 8.78 4.79 0.00 1.88 1.93 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 2.32 2.31 0.00 33 I 8.81 4.72 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.03 0.93 0.00 0.00 34 Q 8.70 4.97 0.00 1.80 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 1.42 2.11 0.00 35 G 9.55 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 0.00 0.00 0.00 0.00 36 Y 9.00 4.63 0.00 2.85 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 37 G 8.91 4.38 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 0.00 38 R 7.30 4.69 0.00 1.76 1.85 0.00 3.31 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 *54 D 8.31 4.60 0.00 2.80 2.47 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 55 F 8.45 4.49 0.00 2.53 1.63 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 56 V 8.48 4.36 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 0.97 0.00 0.00 0.86 0.00 0.00 57 P 0.00 4.97 0.00 2.03 2.07 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 58 K 9.08 4.76 0.00 1.64 1.79 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.58 7.81 59 V 8.46 4.69 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 0.65 0.00 0.00 0.93 0.00 0.00 60 R 8.94 4.87 0.00 1.80 1.74 0.00 3.03 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 61 I 8.63 4.90 1.77 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 1.17 0.59 0.84 0.00 0.00 62 E 9.18 5.22 0.00 1.80 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 2.07 2.12 0.00 63 V 8.57 4.61 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 0.76 0.00 0.00 0.96 0.00 0.00 64 V 8.44 4.46 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 0.84 0.00 0.00 0.92 0.00 0.00 65 V 8.79 4.67 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 0.67 0.00 0.00 0.93 0.00 0.00 66 D 8.60 4.88 0.00 2.76 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 67 D 9.72 4.49 0.00 2.85 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 68 S 8.20 4.22 0.00 4.03 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 69 I 7.48 4.39 1.87 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 1.60 0.91 0.91 0.00 0.00 70 V 7.33 3.62 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 0.82 0.00 0.00 0.97 0.00 0.00 71 D 8.33 4.45 0.00 2.69 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 72 K 8.00 4.01 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.07 7.81 73 V 7.95 3.80 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 0.91 0.00 0.00 0.98 0.00 0.00 74 V 8.08 3.53 2.26 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 0.98 0.00 0.00 0.94 0.00 0.00 75 D 8.14 4.39 0.00 2.89 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 76 S 8.12 4.20 0.00 4.06 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 77 I 7.78 3.71 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.11 0.85 0.00 0.00 78 V 7.94 3.64 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 0.98 0.00 0.00 79 R 7.99 3.94 0.00 1.83 1.97 0.00 3.22 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 80 A 7.72 4.14 1.34 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 0.00 0.00 81 A 7.53 4.30 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 82 R 7.08 4.30 0.00 2.13 1.85 0.00 3.22 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 83 T 8.95 4.48 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 1.42 0.00 0.00 84 G 8.74 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 0.00 0.00 0.00 85 K 7.24 4.54 0.00 1.83 1.77 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.55 7.81 86 I 8.08 3.69 1.89 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 1.36 0.54 0.93 0.00 0.00 87 G 8.91 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 0.00 0.00 0.00 88 D 7.94 4.38 0.00 2.69 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 89 G 8.20 4.36 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 0.00 90 K 8.27 4.83 0.00 1.99 1.84 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 91 V 8.52 4.87 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 0.80 0.00 0.00 0.88 0.00 0.00 92 W 9.26 5.28 0.00 3.32 3.30 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 93 V 8.66 5.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 94 S 9.06 4.98 0.00 3.97 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 95 P 0.00 4.70 0.00 2.09 2.10 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 96 V 8.13 4.26 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 0.84 0.00 0.00 0.97 0.00 0.00 97 D 8.96 4.55 0.00 2.71 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 98 T 7.33 4.66 4.24 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 1.21 0.00 0.00 99 I 8.13 4.75 1.87 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 1.22 1.48 0.91 0.00 0.00 100 V 8.20 4.71 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 0.88 0.00 0.00 0.93 0.00 0.00 101 R 9.18 4.09 0.00 1.87 1.78 0.00 3.14 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 102 V 8.60 3.58 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 0.81 0.00 0.00 0.93 0.00 0.00 103 R 8.18 4.05 0.00 1.80 1.94 0.00 3.25 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 8.00 4.28 4.24 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 1.21 0.00 0.00 105 G 8.51 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 0.00 106 E 7.87 4.09 0.00 2.04 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 2.40 2.33 0.00 107 R 7.52 5.24 0.00 1.75 1.81 0.00 3.41 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 108 G 8.24 3.73 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 0.00 0.00 0.00 109 H 8.98 4.13 0.00 3.23 3.34 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.09 4.40 0.00 2.87 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 0.00 111 A 7.63 4.21 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 0.00 112 L 7.50 4.18 0.00 1.67 1.55 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.