NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.0780 8.3149 121.7838 56.0800 33.7891 175.5867 *2 I 3.9107 7.4449 117.7514 61.4005 38.3820 175.5024 3 T 5.1427 8.4751 121.4738 61.2363 68.6091 172.9620 4 P 4.6408 0.0000 0.0000 62.1902 32.4820 176.2938 5 R 4.4304 8.4841 120.2737 56.9169 31.3061 174.9280 6 F 6.0673 8.3213 117.3291 57.4054 40.5816 172.8284 7 S 4.7532 8.6194 113.1834 57.0891 66.8955 172.5628 8 I 5.3409 8.3608 120.4568 60.0466 40.8695 174.6135 9 T 5.0346 9.0310 116.2819 60.1077 72.4524 172.2930 10 Q 5.1945 8.6717 117.7266 55.3747 31.5085 174.1866 11 D 5.3787 8.3674 120.9005 51.8786 41.9943 175.3862 12 E 4.1660 8.7317 114.7488 58.5262 30.4084 177.3036 13 E 3.7713 9.0147 120.7750 56.7214 31.6091 175.3738 14 F 5.3535 7.9364 116.1929 55.4175 43.8695 173.8325 15 I 4.5250 8.2622 113.9293 59.3083 40.5404 174.7893 16 F 4.9866 9.2674 122.4435 55.9054 42.0102 173.6611 17 L 5.0201 9.3340 127.2447 53.3526 44.2591 175.0416 18 K 4.8068 9.0655 126.9862 54.7215 35.0382 174.5135 19 I 4.4932 8.1976 128.9872 59.4204 39.4717 175.1220 20 F 4.8819 8.9258 127.7133 56.6670 39.1616 175.5275 21 I 4.4896 8.2276 117.8808 58.4142 39.8056 175.7924 22 S 4.5065 9.0340 121.8918 58.4224 62.9603 175.1673 23 N 4.2494 9.9751 121.5043 56.0313 37.1050 177.2512 24 I 3.5980 7.9524 118.4055 63.3527 37.3401 176.6212 25 R 4.5499 8.4592 118.1232 56.2793 31.7681 176.5844 26 F 4.1345 7.5054 119.9700 58.2553 39.7845 174.2415 27 S 4.0966 6.9565 120.1144 56.4911 65.5109 173.7905 28 A 3.8951 8.1803 129.6453 54.7129 18.8795 180.0253 29 V 3.5990 7.7340 115.0864 66.0319 31.7802 177.4928 30 G 3.5788 7.8587 106.9464 48.1336 0.0000 173.6638 31 L 3.9632 6.9710 120.7730 55.3795 42.8293 176.6188 32 E 4.5443 8.7312 126.2808 54.8582 32.9977 173.7219 33 I 5.0843 8.4998 127.5201 59.6384 40.2524 174.8835 34 I 4.5551 9.1083 128.3680 59.4091 40.0425 174.6715 35 I 4.8747 8.4360 127.2903 59.4289 39.3898 175.3246 36 Q 4.3484 8.3307 124.9690 55.1358 32.5117 175.1152 37 E 3.6936 9.5096 126.1354 57.0132 29.8628 175.0359 38 N 5.2151 8.9349 111.4312 51.0819 37.1612 173.9091 *40 I 4.4281 7.4039 122.5271 62.0369 39.8311 175.2444 41 I 4.7230 8.9528 127.9871 59.4778 39.6494 174.4061 42 F 5.1803 8.7435 129.0531 56.5516 42.8130 173.2756 43 H 4.9869 8.2716 125.2309 54.7300 33.1581 171.6769 44 L 4.2419 8.3639 128.2108 52.2949 43.7118 174.6459 45 S 4.2390 8.3112 118.5297 58.2455 62.5851 172.5638 46 P 4.5284 0.0000 0.0000 63.3902 32.1059 175.6346 47 Y 4.8712 8.0696 119.0048 58.7166 39.0856 174.1437 48 Y 5.5062 9.3384 123.6837 56.6151 42.4482 173.8927 49 L 4.8446 8.5890 125.1047 52.8142 46.3128 175.3150 50 R 4.7877 8.6185 122.2851 54.6118 32.0701 174.4613 51 L 4.8263 8.7994 126.7626 52.9045 44.3621 176.2965 52 R 4.7880 8.2753 122.0046 54.5377 30.8505 175.8459 53 F 4.4872 9.4105 124.0331 55.7092 40.1958 175.4287 54 P 4.3478 0.0000 0.0000 65.3994 31.2495 175.4754 55 H 4.7119 6.8771 112.8627 53.9695 32.8396 171.7003 56 E 4.7103 8.4335 119.9301 55.7763 31.5228 175.1906 57 L 5.2893 8.9654 125.5628 53.4299 45.1847 175.4164 58 I 4.3699 7.9170 119.0432 60.4780 41.0938 174.0143 59 D 4.5855 8.8009 129.9978 53.7778 42.2575 174.8392 60 D 4.6199 8.0718 124.5536 52.7264 41.4553 175.0914 61 E 4.1334 8.7360 116.0412 59.0793 29.6196 177.9173 62 R 4.1640 9.2290 119.5118 57.8905 30.5557 176.6593 63 S 5.2016 7.9607 113.4852 57.4604 63.8114 173.9542 64 T 4.7302 8.3783 113.0607 59.8712 72.1999 173.2209 65 A 4.9314 8.4700 124.3074 51.0104 21.1105 175.1708 66 Q 4.7232 8.9696 119.9150 55.0436 33.5572 174.3545 67 Y 4.7081 8.3527 122.5553 56.0837 40.7232 174.4240 68 D 4.2838 8.3748 128.6608 52.7339 40.1444 176.7838 69 S 3.9593 8.0070 120.9643 59.6584 63.5658 175.8785 70 K 4.0862 8.3412 121.2690 58.8694 32.0702 177.5379 71 D 4.5786 8.0423 114.7009 53.3504 42.2330 175.6892 72 E 3.7930 8.3848 118.7951 56.2126 27.4078 173.4033 73 C 5.0134 6.5301 112.0349 56.4024 34.2925 174.8255 74 I 4.6038 8.6560 122.6041 61.1055 38.0275 174.7133 75 N 5.0585 9.0196 126.4234 52.1015 40.0546 174.3977 76 V 4.7409 8.9769 125.0095 60.8928 34.1566 174.0715 77 K 4.7220 8.8925 129.5088 54.5452 34.4479 174.7851 78 V 4.7206 8.1156 126.5749 60.5384 35.1589 174.4885 79 A 4.6268 8.6860 128.9762 51.8999 19.4426 176.9920 80 K 4.1693 8.4483 122.1768 56.3166 32.3789 177.3361 81 L 4.0503 8.8491 126.7085 57.8091 42.9253 176.8737 82 N 4.7526 8.0861 118.7879 50.8364 39.0679 174.0451 83 K 3.9151 8.3987 124.5519 58.2020 32.4998 176.5642 84 N 4.4851 9.4045 122.2682 53.2525 36.9789 174.1313 85 E 4.0997 8.0947 120.3454 55.9106 30.1732 175.4064 86 Y 4.5607 8.6288 127.6904 57.0891 39.3693 174.3108 87 F 4.3872 8.6496 127.1926 56.1519 39.9890 175.2932 88 E 3.9419 8.3925 123.9723 56.7108 30.8423 175.8494 89 D 4.7627 8.6129 120.4338 56.1305 37.3631 175.7066 90 L 4.3041 8.0202 118.7278 56.5467 42.0320 178.0425 91 D 4.5723 8.0985 117.4375 54.2703 40.7323 175.9356 92 L 4.9314 7.4558 120.9665 52.7095 41.5848 175.1433 93 P 4.2447 0.0000 0.0000 66.0134 31.8136 178.4115 94 T 3.9745 7.7728 110.9517 64.7294 67.0187 175.7401 95 K 4.1436 7.9887 119.3728 58.4892 32.3289 178.0737 96 L 4.2143 8.0006 118.5824 55.3882 41.5764 176.8350 97 L 4.2363 7.8489 124.3493 54.9191 41.7001 176.4792 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 0 K 8.31 4.08 0.00 1.70 1.82 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.43 7.81 *2 I 7.44 3.91 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 1.09 0.00 0.00 3 T 8.48 5.14 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 1.39 0.00 0.00 4 P 0.00 4.64 0.00 2.21 2.00 0.00 3.67 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.34 0.00 5 R 8.48 4.43 0.00 1.95 1.91 0.00 3.06 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 6 F 8.32 6.07 0.00 3.11 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 7 S 8.62 4.75 0.00 3.89 3.98 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 8 I 8.36 5.34 2.04 0.00 0.00 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 1.70 0.87 1.24 0.00 0.00 9 T 9.03 5.03 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 1.25 0.00 0.00 10 Q 8.67 5.19 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 11 D 8.37 5.38 0.00 2.88 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 12 E 8.73 4.17 0.00 2.13 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 0.00 2.35 2.23 0.00 13 E 9.01 3.77 0.00 1.67 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 14 F 7.94 5.35 0.00 2.24 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 0.00 0.00 0.00 0.00 15 I 8.26 4.53 1.72 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 0.52 0.38 0.21 0.00 0.00 16 F 9.27 4.99 0.00 2.83 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 17 L 9.33 5.02 0.00 1.81 1.66 0.97 0.51 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 18 K 9.07 4.81 0.00 1.76 1.44 0.00 1.47 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.75 1.15 7.81 19 I 8.20 4.49 1.43 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.36 0.31 0.00 0.00 20 F 8.93 4.88 0.00 3.06 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 21 I 8.23 4.49 1.80 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.48 0.00 0.00 22 S 9.03 4.51 0.00 4.13 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 23 N 9.98 4.25 0.00 3.06 3.34 0.00 0.00 6.77 7.55 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 24 I 7.95 3.60 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.97 0.00 0.00 25 R 8.46 4.55 0.00 2.08 2.33 0.00 3.37 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 26 F 7.51 4.13 0.00 2.54 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 27 S 6.96 4.10 0.00 3.62 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 28 A 8.18 3.90 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 29 V 7.73 3.60 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 0.76 0.00 0.00 0.88 0.00 0.00 30 G 7.86 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 0.00 0.00 0.00 31 L 6.97 3.96 0.00 1.68 1.66 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.73 4.54 0.00 2.00 1.65 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 2.18 2.26 0.00 33 I 8.50 5.08 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.88 0.98 0.00 0.00 34 I 9.11 4.56 1.89 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 1.24 0.74 0.96 0.00 0.00 35 I 8.44 4.87 1.87 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 1.38 0.61 0.88 0.00 0.00 36 Q 8.33 4.35 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.26 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 37 E 9.51 3.69 0.00 2.19 1.56 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 2.30 2.63 0.00 38 N 8.93 5.22 0.00 3.14 2.98 0.00 0.00 5.91 7.83 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 *40 I 7.40 4.43 1.99 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 1.42 1.13 0.95 0.00 0.00 41 I 8.95 4.72 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.88 0.00 0.00 42 F 8.74 5.18 0.00 2.98 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 43 H 8.27 4.99 0.00 3.27 2.99 0.00 5.77 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.36 4.24 0.00 1.38 1.60 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.31 4.24 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.12 2.00 0.00 2.98 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.72 0.00 47 Y 8.07 4.87 0.00 3.30 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 48 Y 9.34 5.51 0.00 2.97 2.82 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 49 L 8.59 4.84 0.00 1.41 1.20 0.25 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.62 4.79 0.00 1.96 1.87 0.00 3.25 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 51 L 8.80 4.83 0.00 1.46 1.16 0.41 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.28 4.79 0.00 1.75 1.82 0.00 3.34 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 53 F 9.41 4.49 0.00 3.24 3.28 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 54 P 0.00 4.35 0.00 1.62 1.92 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 55 H 6.88 4.71 0.00 1.99 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.43 4.71 0.00 2.07 1.83 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 2.35 2.42 0.00 57 L 8.97 5.29 0.00 1.44 1.58 0.29 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.92 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.43 0.99 0.00 0.00 59 D 8.80 4.59 0.00 2.65 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 60 D 8.07 4.62 0.00 2.90 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 61 E 8.74 4.13 0.00 2.10 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 0.00 2.30 2.29 0.00 62 R 9.23 4.16 0.00 2.11 2.32 0.00 3.47 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 63 S 7.96 5.20 0.00 3.92 3.84 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 64 T 8.38 4.73 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 1.13 0.00 0.00 65 A 8.47 4.93 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 66 Q 8.97 4.72 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 67 Y 8.35 4.71 0.00 2.55 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 68 D 8.37 4.28 0.00 2.52 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 3.96 0.00 4.01 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 70 K 8.34 4.09 0.00 1.85 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.34 7.81 71 D 8.04 4.58 0.00 2.71 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 E 8.38 3.79 0.00 2.24 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 2.30 2.18 0.00 73 C 6.53 5.01 0.00 2.41 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 0.00 0.00 0.00 0.00 74 I 8.66 4.60 1.83 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 1.08 0.00 0.00 75 N 9.02 5.06 0.00 2.65 2.71 0.00 0.00 6.07 8.34 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 76 V 8.98 4.74 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 0.95 0.00 0.00 0.94 0.00 0.00 77 K 8.89 4.72 0.00 1.73 1.35 0.00 0.86 0.00 0.00 1.50 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.37 7.81 78 V 8.12 4.72 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 0.93 0.00 0.00 0.83 0.00 0.00 79 A 8.69 4.63 1.32 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 0.00 0.00 80 K 8.45 4.17 0.00 1.59 1.79 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.68 0.98 7.81 81 L 8.85 4.05 0.00 1.73 1.73 0.93 0.86 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 82 N 8.09 4.75 0.00 2.97 2.75 0.00 0.00 6.70 7.48 0.00 0.00 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 K 8.40 3.92 0.00 1.64 1.69 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 84 N 9.40 4.49 0.00 2.89 3.02 0.00 0.00 6.96 6.93 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 85 E 8.09 4.10 0.00 2.07 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 0.00 2.16 2.17 0.00 86 Y 8.63 4.56 0.00 2.96 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 87 F 8.65 4.39 0.00 2.94 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 88 E 8.39 3.94 0.00 2.11 2.03 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 2.21 2.27 0.00 89 D 8.61 4.76 0.00 2.93 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 90 L 8.02 4.30 0.00 1.72 1.98 1.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.10 4.57 0.00 2.85 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 92 L 7.46 4.93 0.00 1.87 1.62 0.94 1.02 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 93 P 0.00 4.24 0.00 1.59 1.81 0.00 3.50 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 1.90 2.05 0.00 94 T 7.77 3.97 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 1.16 0.00 0.00 95 K 7.99 4.14 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.61 7.81 96 L 8.00 4.21 0.00 2.02 1.53 0.91 -0.39 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 97 L 7.85 4.24 0.00 1.72 1.64 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.