NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1067 8.3344 115.2966 58.0850 63.6881 173.6069 3 S 4.4782 8.2040 111.0538 56.9095 62.7052 172.1950 4 H 4.3048 9.1839 121.4223 55.9067 31.4833 173.3726 5 P 4.2518 0.0000 0.0000 66.1081 31.1647 178.4555 6 I 3.8037 7.9388 116.5338 64.1108 37.5448 177.1811 7 F 4.7591 7.9330 116.6878 59.2572 38.7209 174.9259 8 H 4.8850 8.7303 117.2421 57.5052 31.5176 174.5121 9 R 4.3802 8.0557 114.5379 55.8043 30.0855 176.4445 10 G 3.5515 7.5021 108.0695 44.6819 0.0000 173.2592 11 E 3.9560 8.0133 118.9917 54.8756 30.1799 176.3795 12 F 5.1114 7.9766 122.1329 55.7650 41.5860 175.5058 13 S 4.6307 8.4443 118.4202 57.9009 64.0428 175.1947 14 V 3.9038 8.2611 122.3692 63.8365 31.9544 176.7505 15 C 5.3053 7.7709 116.0513 54.9322 40.1394 173.5411 16 D 4.9679 8.6957 123.1763 53.5230 42.2685 175.6100 17 S 5.3344 8.5564 116.5834 56.4621 66.8138 173.1533 18 V 4.5412 8.4399 118.0100 60.1680 34.7590 174.2993 19 S 4.9340 8.5243 118.4076 56.9098 65.4403 173.6764 20 V 4.4231 8.1528 116.1328 59.6580 36.7444 173.7980 21 W 5.1858 8.6766 122.1111 55.8082 30.2865 176.0033 22 V 4.4793 9.5960 126.0392 61.3540 32.6009 176.1106 23 G 4.2700 9.2293 114.6674 45.1980 0.0000 172.1010 24 D 4.8427 8.1093 117.6539 52.5064 39.7778 176.0715 25 K 4.1479 8.2252 121.8214 57.3727 32.6269 175.9827 26 T 4.8355 8.7631 116.0286 62.3313 71.4435 173.9303 27 T 5.0953 7.5486 109.2033 59.9844 72.4549 172.5669 28 A 4.5426 8.3607 122.7979 51.9031 23.7648 174.8801 29 T 5.0717 8.1029 108.7304 60.1706 71.7558 174.6845 30 D 5.3546 8.6800 124.1083 51.6666 41.4130 176.5780 31 I 3.0820 8.1773 117.9700 63.3878 37.8482 176.7072 32 K 4.1855 8.5719 118.1921 56.2035 32.2592 177.4140 33 G 3.9204 8.4393 108.0021 44.9443 0.0000 173.1713 34 K 4.3457 7.8677 121.4566 54.9156 33.9411 175.2241 35 E 4.5118 8.8612 128.4732 56.7253 30.1278 175.9586 36 V 4.6257 9.1580 120.2266 59.6684 36.2044 174.5810 37 M 4.8728 8.5322 121.7187 54.6386 33.6054 175.6013 38 V 4.6218 9.1193 124.7500 61.0599 32.9386 175.8221 39 L 4.3325 8.7526 128.4496 54.8717 42.4104 177.0858 40 G 4.0121 8.4679 105.6041 46.9777 0.0000 172.9849 41 E 5.4814 7.9730 118.2851 55.2991 34.1586 174.7212 42 V 4.4611 9.2255 119.6118 60.7298 35.3276 173.3884 43 N 4.9976 8.7065 122.0262 52.4008 39.2763 173.6138 44 I 3.8250 8.4790 126.7519 60.0162 37.2820 175.8696 45 N 4.1662 9.2546 126.0084 54.2570 35.4369 175.1704 46 N 4.2299 8.0429 110.8851 52.9835 37.3167 174.3666 47 S 4.6914 7.6168 114.7631 56.5745 64.1561 173.4963 48 V 4.3211 8.4526 121.7576 61.6333 31.9658 175.8416 49 F 4.6778 9.7649 124.7937 55.3146 42.4599 174.2635 50 K 4.4609 8.4632 124.0424 55.4069 32.9950 175.8164 51 Q 3.9956 8.8383 130.1509 56.3969 29.1909 174.7094 52 Y 5.1309 8.1342 123.3544 56.2533 41.9001 175.0655 53 F 5.4084 9.5903 119.9513 55.9507 43.7209 173.7802 54 F 4.6262 9.4049 125.2662 57.3148 39.8901 174.5154 55 E 5.0879 8.4368 125.6094 53.6730 33.1412 175.1709 56 T 4.9304 8.2288 119.4580 61.5516 71.6032 173.3103 57 K 4.6572 8.6199 124.0346 54.8794 37.0996 174.8738 58 C 4.7093 8.5135 118.0397 57.0903 41.0025 175.0924 59 R 3.8035 9.1672 121.9011 56.5283 29.3990 176.6164 60 D 3.9350 7.6516 109.3692 54.8225 38.0171 173.4183 *67 G 4.2746 8.0940 113.0123 45.3404 0.0000 171.7399 68 C 4.5923 7.9688 116.7966 55.5357 41.3210 173.5819 69 R 4.0854 8.2359 122.6935 57.5523 30.0259 177.4116 70 G 3.9890 8.8460 112.0682 45.5983 0.0000 173.8537 71 I 3.8084 6.9348 119.9863 61.0394 37.7982 176.7473 72 D 4.6429 8.4476 122.9914 53.6158 40.2870 176.7822 73 S 4.7048 8.3267 120.5681 58.8170 62.7638 174.8579 74 K 4.1105 8.0154 121.5975 60.2724 32.0511 177.0381 75 H 4.6020 8.3503 113.6749 55.6819 29.7900 174.3713 76 W 5.6515 8.1953 119.7521 55.0625 33.4138 174.5442 77 N 5.1048 9.7611 122.0311 53.1960 40.0205 174.1327 78 S 5.4871 8.7147 113.1695 59.4175 66.0346 173.7407 79 Y 5.0661 7.7594 117.0886 56.6857 40.8887 173.5505 80 C 5.1701 8.7732 117.4845 56.0580 38.2447 173.2171 81 T 4.8254 8.9057 116.1106 60.7805 71.1712 172.6959 82 T 4.6831 8.5225 124.0629 63.6060 69.1060 174.2634 83 T 4.4753 8.8342 117.1859 60.4197 72.0558 173.0127 84 H 5.3044 8.4062 118.7142 54.3344 32.3400 172.6647 85 T 4.5669 8.4689 112.6145 60.7454 71.4148 172.0754 86 F 5.4303 8.5946 122.9782 55.7311 41.1257 175.4762 87 V 4.7807 8.9566 123.0193 60.5997 35.0882 174.5545 88 K 3.7591 8.6503 128.1015 56.5785 32.7639 175.5951 89 A 4.3977 7.9130 127.0252 50.3642 23.5092 175.1175 90 L 5.1450 9.6205 124.0722 55.3841 43.3840 175.9119 91 T 5.2403 9.2370 117.5549 60.4071 72.9744 172.2356 92 M 5.2459 9.2173 119.8568 54.2307 36.2590 174.6608 93 D 4.6372 8.8116 123.0004 52.7106 43.1951 176.8563 94 G 3.9370 8.3799 117.9473 45.9133 0.0000 172.4937 95 K 4.4839 8.6131 122.3677 57.3147 33.1598 177.3255 96 Q 4.5656 7.7465 120.3799 54.8739 29.5831 173.7329 97 A 4.8608 8.3952 125.2810 51.4581 19.5059 176.1931 98 A 4.6901 9.0388 123.4170 50.2381 23.5750 175.1300 99 W 5.3371 8.8745 130.2302 56.1144 29.4207 175.1959 100 R 4.6452 8.5857 123.2108 53.4303 33.7838 174.6882 101 F 4.9106 8.5249 120.4520 57.3293 40.2628 174.7962 102 I 5.0896 9.0488 116.9138 58.9291 41.3094 174.1663 103 R 4.4685 8.5743 123.9363 55.3713 30.6251 175.5796 104 I 4.6859 8.3377 118.9968 58.7650 41.7335 174.2984 105 D 4.6944 8.6681 123.5443 55.5071 41.1806 176.7418 106 T 4.5943 8.6981 115.1432 61.5519 69.6353 172.5282 107 A 4.3919 7.3105 120.7887 51.7906 22.9418 175.2415 108 C 5.2321 8.6481 118.2484 55.2566 41.5662 173.4510 109 V 4.5276 8.9644 119.2728 59.4841 35.3685 173.7474 110 C 4.7733 8.4717 122.3331 55.6917 39.0342 172.6494 111 V 4.1197 8.1311 126.9983 61.2759 32.5794 174.6073 112 L 4.6868 8.2891 127.9629 54.2062 43.3202 176.5846 113 S 4.7443 8.9010 116.6945 57.2856 65.8148 173.8240 114 R 4.0336 9.1867 127.0206 56.1762 30.5598 176.0239 115 K 4.5330 7.7602 120.5992 55.7913 35.7696 176.1347 116 A 3.9279 8.4516 122.0868 52.5509 18.2409 178.0722 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 2 S 8.33 4.11 0.00 3.60 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 3 S 8.20 4.48 0.00 3.99 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 4 H 9.18 4.30 0.00 3.26 2.89 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.25 0.00 2.09 2.08 0.00 2.91 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 6 I 7.94 3.80 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.34 0.00 0.00 7 F 7.93 4.76 0.00 3.35 3.15 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 0.00 0.00 0.00 0.00 8 H 8.73 4.88 0.00 3.11 3.50 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.06 4.38 0.00 1.82 1.90 0.00 3.27 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 1.65 1.81 0.00 10 G 7.50 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.01 3.96 0.00 1.81 1.77 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 2.10 2.15 0.00 12 F 7.98 5.11 0.00 3.05 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 13 S 8.44 4.63 0.00 4.06 3.99 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 14 V 8.26 3.90 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 0.78 0.00 0.00 0.94 0.00 0.00 15 C 7.77 5.31 0.00 2.77 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 16 D 8.70 4.97 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 5.33 0.00 3.81 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 18 V 8.44 4.54 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 0.72 0.00 0.00 0.88 0.00 0.00 19 S 8.52 4.93 0.00 3.56 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 20 V 8.15 4.42 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 0.64 0.00 0.00 0.86 0.00 0.00 21 W 8.68 5.19 0.00 3.11 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 22 V 9.60 4.48 2.38 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 1.20 0.00 0.00 1.05 0.00 0.00 23 G 9.23 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 0.00 0.00 0.00 0.00 24 D 8.11 4.84 0.00 2.82 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 25 K 8.23 4.15 0.00 1.96 2.08 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.23 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.50 7.81 26 T 8.76 4.84 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 1.30 0.00 0.00 27 T 7.55 5.10 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 1.23 0.00 0.00 28 A 8.36 4.54 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 29 T 8.10 5.07 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 1.22 0.00 0.00 30 D 8.68 5.35 0.00 2.93 2.89 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 31 I 8.18 3.08 1.63 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.29 0.81 0.00 0.00 32 K 8.57 4.19 0.00 1.87 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.33 7.81 33 G 8.44 3.92 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 0.00 0.00 0.00 34 K 7.87 4.35 0.00 1.86 2.05 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 35 E 8.86 4.51 0.00 2.03 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 2.30 2.36 0.00 36 V 9.16 4.63 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 0.87 0.00 0.00 1.01 0.00 0.00 37 M 8.53 4.87 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 38 V 9.12 4.62 2.31 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 1.00 0.00 0.00 0.96 0.00 0.00 39 L 8.75 4.33 0.00 1.77 1.64 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.47 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 41 E 7.97 5.48 0.00 1.80 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 2.15 2.26 0.00 42 V 9.23 4.46 2.23 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 0.84 0.00 0.00 0.79 0.00 0.00 43 N 8.71 5.00 0.00 2.70 2.72 0.00 0.00 6.99 7.94 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 44 I 8.48 3.82 1.39 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.55 0.66 0.00 0.00 45 N 9.25 4.17 0.00 2.79 2.83 0.00 0.00 7.22 8.00 0.00 0.00 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 N 8.04 4.23 0.00 3.00 3.05 0.00 0.00 6.13 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 47 S 7.62 4.69 0.00 4.20 4.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 4.32 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 0.77 0.00 0.00 0.84 0.00 0.00 49 F 9.76 4.68 0.00 3.02 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 50 K 8.46 4.46 0.00 1.57 1.42 0.00 1.57 0.00 0.00 1.30 0.00 0.00 2.35 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.24 7.81 51 Q 8.84 4.00 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.44 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 52 Y 8.13 5.13 0.00 2.72 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 53 F 9.59 5.41 0.00 3.10 2.96 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 54 F 9.40 4.63 0.00 2.59 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 55 E 8.44 5.09 0.00 1.79 1.75 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 2.27 2.27 0.00 56 T 8.23 4.93 4.11 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 1.09 0.00 0.00 57 K 8.62 4.66 0.00 1.72 1.76 0.00 1.29 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.34 7.81 58 C 8.51 4.71 0.00 2.92 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 59 R 9.17 3.80 0.00 1.69 1.99 0.00 3.36 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 60 D 7.65 3.93 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 *67 G 8.09 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 0.00 0.00 0.00 0.00 68 C 7.97 4.59 0.00 3.01 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 69 R 8.24 4.09 0.00 1.76 1.90 0.00 3.44 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 70 G 8.85 3.99 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 0.00 0.00 0.00 71 I 6.93 3.81 2.02 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 1.14 0.35 0.98 0.00 0.00 72 D 8.45 4.64 0.00 2.82 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 73 S 8.33 4.70 0.00 3.96 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 74 K 8.02 4.11 0.00 1.84 1.98 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.51 7.81 75 H 8.35 4.60 0.00 3.09 2.69 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.20 5.65 0.00 3.23 3.03 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 77 N 9.76 5.10 0.00 2.93 2.83 0.00 0.00 6.36 7.27 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 78 S 8.71 5.49 0.00 3.83 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 79 Y 7.76 5.07 0.00 3.03 3.03 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 80 C 8.77 5.17 0.00 2.87 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 81 T 8.91 4.83 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 1.15 0.00 0.00 82 T 8.52 4.68 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 83 T 8.83 4.48 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 1.13 0.00 0.00 84 H 8.41 5.30 0.00 2.66 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.47 4.57 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 1.18 0.00 0.00 86 F 8.59 5.43 0.00 2.84 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 87 V 8.96 4.78 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 1.10 0.00 0.00 1.04 0.00 0.00 88 K 8.65 3.76 0.00 1.11 0.78 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.40 0.21 7.81 89 A 7.91 4.40 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 90 L 9.62 5.15 0.00 2.39 1.83 1.17 1.01 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 91 T 9.24 5.24 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 1.27 0.00 0.00 92 M 9.22 5.25 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 93 D 8.81 4.64 0.00 2.58 2.55 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 0.00 0.00 0.00 94 G 8.38 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 95 K 8.61 4.48 0.00 1.86 1.91 0.00 1.44 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 96 Q 7.75 4.57 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 97 A 8.40 4.86 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 98 A 9.04 4.69 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 99 W 8.87 5.34 0.00 3.23 2.98 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 0.00 100 R 8.59 4.65 0.00 1.75 1.76 0.00 3.20 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 101 F 8.52 4.91 0.00 2.87 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 0.00 102 I 9.05 5.09 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.89 0.00 0.00 103 R 8.57 4.47 0.00 2.06 1.80 0.00 3.08 0.00 0.00 2.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.88 0.00 104 I 8.34 4.69 1.87 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 1.19 0.54 0.57 0.00 0.00 105 D 8.67 4.69 0.00 2.52 2.72 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 0.00 106 T 8.70 4.59 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 0.00 107 A 7.31 4.39 1.14 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 0.00 0.00 108 C 8.65 5.23 0.00 2.94 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 0.00 109 V 8.96 4.53 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 0.59 0.00 0.00 0.82 0.00 0.00 110 C 8.47 4.77 0.00 2.87 2.85 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 0.00 111 V 8.13 4.12 0.73 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 0.89 0.00 0.00 0.49 0.00 0.00 112 L 8.29 4.69 0.00 1.33 1.23 0.68 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.90 4.74 0.00 4.03 3.86 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 0.00 0.00 0.00 114 R 9.19 4.03 0.00 1.66 1.62 0.00 3.06 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 115 K 7.76 4.53 0.00 1.63 2.13 0.00 1.91 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.25 7.81 116 A 8.45 3.93 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 * Residues marked with a * may have inaccurate shift predictions.