NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8803 8.2833 118.1580 52.7868 38.4594 176.0863 2 L 4.0171 8.7488 113.8840 57.2772 41.8970 177.7237 3 F 4.4476 9.1988 121.3229 61.4442 39.4035 176.4147 4 Q 4.1526 7.8584 115.7753 57.9299 29.1048 177.5437 5 F 4.2366 10.1398 122.6993 60.9122 39.1446 176.2731 6 A 4.0984 8.8294 121.4191 53.6964 18.2847 179.2576 7 K 3.8434 7.9842 114.5814 59.9719 32.3390 178.7152 8 M 3.8713 8.5804 118.3695 59.1942 32.0898 177.6560 9 I 3.3544 7.6965 118.9519 65.0146 37.2510 177.6142 10 N 4.2427 8.9896 116.6994 56.8695 38.4984 177.6710 11 G 4.1207 8.5758 107.1995 48.0827 0.0000 175.1666 12 K 4.2369 8.5196 120.9163 57.2285 32.3012 177.2415 13 L 4.3979 7.8149 118.0411 53.7985 42.0835 172.1243 14 G 3.6937 8.0201 116.7370 44.9253 0.0000 173.9048 *16 A 4.2718 8.1084 126.4745 53.3134 19.6407 177.0907 17 F 4.2580 8.6073 117.0582 57.9887 38.2114 177.3253 18 S 4.0261 7.9343 117.1366 61.8524 63.2129 178.5460 19 V 3.2711 6.9260 117.9034 63.5602 33.3794 177.8452 20 W 4.7547 6.7806 121.8329 59.4960 28.7731 178.2055 21 N 4.3404 7.9503 114.8407 56.3203 37.9376 176.0954 22 Y 4.7086 7.1668 115.2171 58.4023 38.5151 177.0946 23 I 4.2862 8.2702 123.2170 63.3512 37.2455 175.6947 24 S 4.5901 7.4770 114.7931 57.8833 63.5413 171.9966 25 Y 4.8450 8.4121 127.5697 56.3713 41.9313 175.4274 26 G 3.5105 6.0582 109.6592 46.9506 0.0000 171.8716 27 C 4.3845 8.6191 112.9488 57.9954 40.9529 174.8371 28 Y 4.3304 8.2299 115.0537 58.5882 39.1421 176.9978 29 C 4.5942 9.3039 118.3886 57.7682 42.3863 174.6281 30 G 4.5410 9.4175 114.2301 47.1056 0.0000 174.4284 31 W 4.5224 9.5056 115.1671 56.0242 30.8386 177.6201 32 G 4.7155 6.9513 106.4862 46.3179 0.0000 173.2218 33 G 4.4700 7.7568 116.5112 45.8189 0.0000 172.6668 34 Q 4.7033 7.1463 119.7283 55.0600 30.1948 174.2185 35 G 3.6733 8.3590 104.1711 46.9635 0.0000 171.2600 36 T 4.9015 8.0104 113.5427 60.8601 71.3223 171.0772 37 P 4.7278 0.0000 0.0000 62.2288 30.7870 175.7693 38 K 3.8015 8.4785 123.7466 59.1958 31.8859 177.7970 39 D 4.5960 8.0416 115.0968 51.4073 42.8845 176.4842 40 A 4.0974 8.3015 122.6223 55.8698 18.4468 179.8227 41 T 3.8781 8.6362 113.4695 66.8250 68.7890 175.7214 42 D 4.7952 8.7724 119.0318 57.7962 41.3639 178.4238 43 R 3.9551 9.2604 119.0854 59.7941 29.6170 177.8443 44 C 3.9400 8.4031 116.3830 60.4689 37.2218 175.6436 45 C 4.0648 8.3384 117.7144 60.8892 39.4936 175.4796 46 F 3.2145 8.1275 119.6842 62.2233 38.2665 177.3054 47 V 3.3457 8.4420 113.4571 66.4210 30.8687 178.5339 48 H 3.8326 8.1654 115.9950 58.9368 30.5975 176.5573 49 D 4.1752 8.3680 121.2162 57.7214 40.6222 178.2087 50 C 4.0668 8.1961 116.8244 60.2375 40.0466 175.1889 51 C 4.2958 9.0285 119.0698 60.3709 43.2410 175.3797 52 Y 4.0826 9.1313 116.6470 60.5752 37.1296 178.7263 53 G 3.6725 8.3669 107.4847 47.7501 0.0000 175.8255 54 R 3.9711 8.6024 121.3136 57.6279 30.2541 176.9137 55 V 3.6852 6.8581 117.4949 62.6205 32.2964 175.3430 56 R 4.2762 8.3113 124.9783 54.5170 32.3710 175.3454 *59 G 4.2317 8.2810 112.4248 45.2545 0.0000 170.2027 *61 C 5.0076 7.7074 114.6320 54.2861 41.2048 173.0712 *67 N 4.4312 8.4563 122.3780 52.4991 38.7652 172.0451 68 P 3.8679 0.0000 0.0000 65.3304 31.8637 177.2278 69 K 3.9205 7.9732 119.7983 59.3478 32.1398 177.6283 70 L 4.3684 8.4566 116.1907 54.8414 42.5032 176.7602 71 A 4.1188 8.5559 122.2616 52.8621 19.2286 177.3588 72 I 4.4741 7.7364 117.5412 59.6969 37.9949 173.7422 73 Y 4.5710 7.1381 119.8949 56.1985 40.3435 175.1759 74 S 4.9561 8.7924 112.9401 57.1857 65.8038 173.4674 75 Y 5.5708 8.1102 122.9386 57.4973 39.7559 173.2905 76 S 5.0725 7.3472 119.3370 58.2993 66.4586 176.2018 77 F 4.8068 8.2400 123.5285 57.4700 39.6236 175.9585 78 K 4.4535 8.4543 121.8683 55.4045 32.8426 174.6340 79 K 3.8876 9.5725 117.4876 55.6994 29.1450 172.8337 80 G 4.1165 8.6829 108.0396 44.9252 0.0000 170.2970 81 N 5.2827 7.8294 114.6605 51.1759 42.2202 173.1051 82 I 4.2007 8.1494 119.2356 60.7438 38.5593 175.9912 83 V 4.3964 7.5155 119.4802 62.0716 34.3727 173.7324 84 C 4.5511 8.4282 125.4855 56.2118 41.7850 176.3605 85 G 3.7440 7.5949 110.4756 45.3818 0.0000 173.3378 86 K 3.8218 8.4884 120.7859 56.0678 32.4296 175.5963 *88 N 5.0473 7.9044 123.0887 52.9030 37.8858 175.5653 89 N 4.4676 8.7998 109.0192 52.5927 41.2295 177.2995 90 G 3.7146 8.6491 109.1072 45.5202 0.0000 175.0390 91 C 4.0418 9.3667 114.7275 58.5102 40.8244 177.1079 92 L 3.8607 8.1513 119.9592 57.7652 41.5019 179.4178 93 R 3.7351 7.9264 117.8103 60.2512 30.0207 176.9501 94 D 4.3013 7.8978 117.7747 57.3259 40.5997 178.8710 95 I 3.6107 7.9049 118.0677 64.8091 37.1866 176.9636 96 C 2.7087 8.4667 119.2041 59.6833 44.3021 175.8107 97 E 3.8627 8.8509 120.4516 59.9196 29.0122 178.3369 98 C 4.0799 9.1200 116.9050 60.5839 39.7176 175.8733 99 D 5.4174 9.1081 120.2002 57.7119 40.5173 178.9652 100 R 3.9342 10.0222 118.5464 57.8711 29.6299 177.9516 101 V 3.5794 6.4802 121.1103 65.0653 31.4453 178.5603 102 A 3.8561 8.9599 122.0608 55.0413 18.2153 179.4668 103 A 3.9024 8.1028 118.1254 55.2959 18.0802 179.0793 104 N 4.3837 10.4489 114.8570 56.6096 38.6561 176.3991 105 C 3.9767 8.2987 119.8805 60.4806 40.0130 176.0316 106 F 3.8744 7.2859 117.9679 60.9390 39.1748 177.5161 107 H 4.1531 8.3210 120.7115 59.5271 29.6876 177.1822 108 Q 4.0211 7.5395 118.5839 59.1403 29.5528 177.4799 109 N 5.0467 7.8917 116.1039 51.2132 37.3463 175.7252 110 K 4.3682 8.2133 116.3417 59.3707 33.5531 177.5449 111 N 4.7482 8.0875 117.3515 54.9480 39.4570 175.8365 112 T 4.3964 7.7233 107.1490 61.9063 68.9921 173.4352 113 Y 4.8743 7.8486 122.8080 56.4874 40.5675 174.5915 114 N 5.1136 8.4133 122.8943 50.6342 40.0771 175.1421 115 K 3.9607 9.2547 124.2521 59.4288 32.5114 177.8569 116 N 3.9580 7.9352 116.2001 56.3809 39.3385 174.3995 117 Y 4.6873 7.8650 113.2538 57.2489 38.5814 175.7299 118 K 4.1484 8.4707 120.5772 57.9425 33.0791 176.6969 119 F 4.3293 8.2582 119.3344 57.2886 36.8891 174.7809 120 L 4.3427 7.6299 119.2464 54.7951 42.4877 176.8947 121 S 4.7490 7.9807 111.9551 56.7052 65.2749 174.2209 122 S 3.6559 8.0582 114.1175 62.1079 62.0371 176.1126 *124 S 4.4205 7.2234 113.5602 57.8934 64.3061 175.3939 125 R 4.1108 7.9160 121.5008 58.3180 30.7191 176.1566 126 C 5.8919 8.8324 115.5763 55.5982 41.0794 175.2062 127 R 3.8761 7.7153 117.5191 57.6010 30.6668 177.7045 128 Q 4.0711 8.0083 117.5065 55.6894 29.4611 176.8168 129 T 4.1683 8.2503 110.2227 61.5437 69.2248 174.4014 130 S 4.3976 8.5042 118.8241 58.4989 62.0084 171.8263 131 E 4.0277 8.5571 127.2384 57.3680 29.8232 176.5793 132 Q 4.3869 8.7844 125.8856 55.5132 30.0139 177.2706 133 C 4.7573 8.8930 117.6519 57.8122 41.2856 174.0253 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 N 8.28 4.88 0.00 3.16 3.13 0.00 0.00 6.14 5.79 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 2 L 8.75 4.02 0.00 1.81 1.78 0.86 0.63 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 3 F 9.20 4.45 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.15 0.00 2.29 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.50 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 5 F 10.14 4.24 0.00 3.58 3.32 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 6 A 8.83 4.10 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 7 K 7.98 3.84 0.00 2.00 2.02 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.76 7.81 8 M 8.58 3.87 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 9 I 7.70 3.35 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.33 0.24 0.00 0.00 10 N 8.99 4.24 0.00 2.67 2.84 0.00 0.00 7.04 7.20 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 11 G 8.58 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 12 K 8.52 4.24 0.00 2.06 2.06 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.28 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.64 7.81 13 L 7.81 4.40 0.00 1.62 1.56 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.02 3.69 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 0.00 0.00 0.00 *16 A 8.11 4.27 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.26 0.00 3.43 3.47 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 18 S 7.93 4.03 0.00 3.87 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 19 V 6.93 3.27 1.72 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 -0.31 0.00 0.00 0.34 0.00 0.00 20 W 6.78 4.75 0.00 3.57 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.95 4.34 0.00 1.44 2.52 0.00 0.00 7.13 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 22 Y 7.17 4.71 0.00 2.96 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 23 I 8.27 4.29 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 1.25 0.00 0.00 24 S 7.48 4.59 0.00 3.89 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 25 Y 8.41 4.85 0.00 3.12 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 26 G 6.06 3.51 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 0.00 0.00 0.00 27 C 8.62 4.38 0.00 2.47 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 28 Y 8.23 4.33 0.00 3.01 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 29 C 9.30 4.59 0.00 3.53 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 30 G 9.42 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.51 4.52 0.00 3.31 3.35 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 0.00 32 G 6.95 4.72 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 33 G 7.76 4.47 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 0.00 0.00 0.00 34 Q 7.15 4.70 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 35 G 8.36 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 4.90 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 1.24 0.00 0.00 37 P 0.00 4.73 0.00 2.05 2.13 0.00 3.80 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.22 0.00 38 K 8.48 3.80 0.00 1.44 1.29 0.00 0.61 0.00 0.00 1.36 0.00 0.00 2.87 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.10 0.71 7.81 39 D 8.04 4.60 0.00 2.93 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 40 A 8.30 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.88 4.59 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 D 8.77 4.80 0.00 2.99 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 43 R 9.26 3.96 0.00 2.10 1.94 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 44 C 8.40 3.94 0.00 3.15 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 45 C 8.34 4.06 0.00 3.28 3.18 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 46 F 8.13 3.21 0.00 2.73 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 47 V 8.44 3.35 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 0.97 0.00 0.00 0.92 0.00 0.00 48 H 8.17 3.83 0.00 3.14 3.22 0.00 5.66 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 8.37 4.18 0.00 2.57 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 50 C 8.20 4.07 0.00 3.10 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 51 C 9.03 4.30 0.00 2.97 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 4.08 0.00 2.84 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 53 G 8.37 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 3.97 0.00 1.69 2.13 0.00 3.31 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 55 V 6.86 3.69 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 0.73 0.00 0.00 0.96 0.00 0.00 56 R 8.31 4.28 0.00 1.80 1.76 0.00 3.35 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.51 0.00 *59 G 8.28 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 0.00 0.00 0.00 0.00 *61 C 7.71 5.01 0.00 3.10 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 *67 N 8.46 4.43 0.00 2.73 2.76 0.00 0.00 7.16 7.71 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 68 P 0.00 3.87 0.00 1.88 0.68 0.00 3.65 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 1.80 1.64 0.00 69 K 7.97 3.92 0.00 1.66 1.85 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.54 7.81 70 L 8.46 4.37 0.00 1.61 1.69 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.56 4.12 1.33 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 0.00 0.00 0.00 72 I 7.74 4.47 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.91 0.00 0.00 73 Y 7.14 4.57 0.00 3.10 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 74 S 8.79 4.96 0.00 3.84 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 75 Y 8.11 5.57 0.00 3.22 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 76 S 7.35 5.07 0.00 3.97 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 77 F 8.24 4.81 0.00 3.09 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 78 K 8.45 4.45 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.46 7.81 79 K 9.57 3.89 0.00 1.84 1.79 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.43 7.81 80 G 8.68 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 N 7.83 5.28 0.00 2.93 2.80 0.00 0.00 6.92 7.20 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 82 I 8.15 4.20 1.85 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 1.20 0.68 0.73 0.00 0.00 83 V 7.52 4.40 2.27 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 0.93 0.00 0.00 0.96 0.00 0.00 84 C 8.43 4.55 0.00 2.98 2.95 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 85 G 7.59 3.74 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 0.00 0.00 0.00 86 K 8.49 3.82 0.00 1.84 1.79 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 *88 N 7.90 5.05 0.00 2.97 2.87 0.00 0.00 6.17 8.04 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 89 N 8.80 4.47 0.00 2.66 2.77 0.00 0.00 6.88 7.98 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 90 G 8.65 3.71 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 0.00 0.00 0.00 91 C 9.37 4.04 0.00 3.08 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.86 0.00 1.75 1.82 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.93 3.74 0.00 1.88 1.88 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 94 D 7.90 4.30 0.00 3.01 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 95 I 7.90 3.61 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 0.85 0.00 0.00 96 C 8.47 2.71 0.00 1.55 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 97 E 8.85 3.86 0.00 1.98 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 2.42 2.46 0.00 98 C 9.12 4.08 0.00 3.24 3.32 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 99 D 9.11 5.42 0.00 3.00 2.95 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 0.00 100 R 10.02 3.93 0.00 1.85 1.82 0.00 3.10 0.00 0.00 3.17 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 101 V 6.48 3.58 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 0.91 0.00 0.00 102 A 8.96 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.10 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 10.45 4.38 0.00 2.87 2.88 0.00 0.00 6.60 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.30 3.98 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.29 3.87 0.00 3.07 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.32 4.15 0.00 3.38 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 7.54 4.02 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 109 N 7.89 5.05 0.00 2.91 2.97 0.00 0.00 6.57 6.31 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 0.00 110 K 8.21 4.37 0.00 1.92 2.01 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.82 1.46 7.81 111 N 8.09 4.75 0.00 2.86 2.95 0.00 0.00 6.86 7.05 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 0.00 112 T 7.72 4.40 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 1.28 0.00 0.00 113 Y 7.85 4.87 0.00 3.07 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 0.00 114 N 8.41 5.11 0.00 2.77 2.90 0.00 0.00 6.42 8.73 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 0.00 115 K 9.25 3.96 0.00 2.00 1.97 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.65 7.81 116 N 7.94 3.96 0.00 2.51 2.40 0.00 0.00 6.88 7.54 0.00 0.00 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 Y 7.86 4.69 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.15 0.00 2.11 1.93 0.00 1.95 0.00 0.00 1.97 0.00 0.00 3.31 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.75 1.79 7.81 119 F 8.26 4.33 0.00 3.10 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 0.00 120 L 7.63 4.34 0.00 1.61 1.65 0.76 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.98 4.75 0.00 3.95 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 0.00 122 S 8.06 3.66 0.00 3.88 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 *124 S 7.22 4.42 0.00 3.92 3.76 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 0.00 125 R 7.92 4.11 0.00 1.95 1.96 0.00 3.22 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 126 C 8.83 5.89 0.00 2.69 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 0.00 127 R 7.72 3.88 0.00 1.81 1.97 0.00 3.24 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 128 Q 8.01 4.07 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 129 T 8.25 4.17 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 0.00 130 S 8.50 4.40 0.00 3.98 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 0.00 131 E 8.56 4.03 0.00 2.14 2.30 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 2.15 2.20 0.00 132 Q 8.78 4.39 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 133 C 8.89 4.76 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.