NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.4692 8.3531 120.3096 52.2360 41.4177 176.0314 5 G 3.8618 8.3080 107.5022 45.3592 0.0000 171.1128 6 Y 4.5406 8.9349 119.9826 56.6357 39.2315 173.9622 7 F 4.4539 9.0756 123.3971 57.4590 40.3861 175.7893 8 E 4.8195 7.9764 118.7861 53.2217 32.2611 173.9255 9 P 4.2183 0.0000 0.0000 62.9859 32.1116 177.5769 10 T 3.5109 8.4469 112.9559 64.7746 68.4588 175.9113 11 Q 3.9885 7.9424 121.3441 58.0825 29.1285 176.1754 12 E 4.4409 8.0987 115.4818 56.2628 30.2785 175.6961 13 L 4.6445 7.3674 119.7753 53.0233 43.3683 177.3045 14 S 4.4360 8.3155 117.2534 57.9061 65.1915 174.9986 15 D 4.4355 8.7100 122.8986 57.8865 40.4031 179.2139 16 E 4.1154 8.1524 115.7061 59.4131 29.8944 178.6715 17 T 4.0854 7.5099 115.7252 66.6826 68.7099 176.4602 18 R 4.3665 7.9139 119.8145 59.0580 29.9760 178.7784 19 D 4.5909 8.3319 116.6452 55.0968 40.5851 177.7178 *21 H 4.6102 8.1090 120.9630 56.3689 31.7925 175.3286 22 R 3.7078 8.3219 118.4139 59.1890 29.8034 178.8979 23 A 3.7925 8.0417 120.3789 55.1460 18.3469 179.8205 24 I 3.5808 7.5517 117.7225 64.5828 37.3455 178.3895 25 I 3.5957 7.7198 119.5502 64.1862 37.6926 178.0599 26 S 4.2378 7.9500 116.0772 61.3945 62.5182 176.4183 27 L 3.9348 7.9664 123.0561 58.2951 41.7936 179.3073 28 R 3.9110 8.2984 118.3171 59.1707 29.8475 178.9982 29 E 3.9438 8.2362 118.5234 59.4270 29.4851 179.1759 30 E 3.9928 8.4141 118.8057 59.3641 29.5296 179.4303 31 L 3.9972 8.2109 119.2676 57.6473 41.6770 178.9527 32 E 3.8910 8.4061 119.1991 59.4775 29.4718 178.8464 33 A 3.9418 8.2470 120.7605 54.9171 18.3027 179.7511 34 V 3.6115 7.8847 116.8589 66.2582 31.6189 177.7188 35 D 4.3207 8.1301 117.6395 57.3569 40.9914 178.3118 36 L 3.9267 8.3188 119.7373 58.1434 41.6053 179.0466 37 Y 4.3276 8.0610 116.8134 60.9784 37.7537 178.2843 38 N 4.3130 8.5343 118.1082 56.9727 39.0215 176.7519 39 Q 4.0415 8.2308 119.3852 59.2233 28.7929 179.5194 40 R 3.9521 8.4267 119.2487 59.1048 29.9254 178.9524 41 V 3.5788 7.8751 117.2638 66.3656 31.5609 177.3357 42 N 4.3846 8.1836 114.6906 55.9829 38.7946 175.6323 43 A 4.4917 7.3778 120.1387 51.6891 20.4133 176.8711 44 C 4.2348 7.4102 117.4040 59.6826 32.2754 173.1971 45 K 4.3256 8.5048 123.5372 57.7143 33.5228 177.2122 46 D 4.6362 7.7798 118.1203 53.2437 42.8397 177.0123 47 K 4.0341 8.6071 126.3235 59.5386 32.2087 179.3838 48 E 3.8903 8.1645 118.3089 59.2967 29.5011 178.7633 49 L 3.9221 8.8784 120.6650 58.0387 42.0650 178.5131 50 K 3.7899 8.4958 119.7055 59.8307 32.0501 178.3086 51 A 3.9494 7.9477 120.5006 55.1037 18.2884 179.3233 52 I 3.5616 7.7254 118.3332 64.6728 37.2179 178.4505 53 L 3.6589 8.1704 119.4003 57.8206 41.6321 179.5026 54 A 3.8915 8.0854 120.6627 55.7023 18.3869 178.3351 55 H 3.8030 8.7086 116.4215 59.8758 29.6642 176.6093 56 N 4.0569 8.1502 117.3132 56.4311 38.4877 177.0555 57 R 3.9037 7.2035 119.7012 59.9774 29.8215 178.1665 58 D 4.3334 7.7875 117.6943 57.3171 40.7837 178.6523 59 E 3.9567 7.9011 118.7844 59.3859 29.4310 179.2298 60 E 3.9652 8.3251 118.7321 59.2168 29.4689 179.3824 61 K 4.0563 7.7878 118.4364 59.3790 31.8059 178.9559 62 E 3.9175 7.4818 117.4144 59.6358 29.7165 178.0672 63 H 4.3618 7.8867 114.7240 59.0484 29.0585 177.2798 64 A 4.2203 8.6443 122.5988 54.8780 18.1658 179.9041 65 A 3.9281 7.7847 116.9407 52.7797 18.3242 179.3919 *67 L 4.2740 7.8820 122.5518 56.3691 43.8930 179.3468 68 L 4.1025 8.0032 119.7953 57.8973 41.7948 178.4796 69 E 4.0518 8.5043 119.6037 58.8933 29.3180 178.6690 70 W 4.0497 8.0954 127.0621 60.5005 31.2951 177.4559 71 I 3.7455 8.1675 120.0364 64.4495 36.2087 178.6467 72 R 4.2842 8.2893 116.7992 59.3087 29.0439 178.3911 73 R 4.2676 7.5289 116.4359 57.0615 30.1898 176.5336 74 C 4.7305 7.4675 112.5958 57.4789 30.5570 174.5929 75 D 4.6436 7.8259 120.4883 51.5820 41.4452 173.3564 76 P 4.2647 0.0000 0.0000 65.0202 31.6762 177.4835 77 A 4.0400 7.8749 118.4200 54.7881 18.3345 179.3669 78 F 4.3235 8.6839 119.4989 61.3069 39.4209 176.7291 79 D 4.2486 8.1958 117.7104 56.8396 40.7336 177.7527 80 K 3.9339 8.3711 120.1324 59.9303 31.8362 178.3624 81 E 4.1710 7.8232 117.3722 59.0173 29.3172 179.3318 82 L 3.8204 7.6547 119.1884 57.7069 41.4732 179.5429 83 K 3.9482 8.2547 117.4834 59.6588 32.0033 178.8352 84 D 4.3319 7.6297 117.1826 56.8011 40.7781 177.4374 85 Y 4.4164 7.3718 114.6762 58.2560 39.4346 176.7540 86 L 3.7308 7.5600 119.1059 55.6518 42.5615 176.8710 87 F 3.9323 7.8364 118.6741 58.5666 35.8889 174.4238 88 T 4.7996 7.3029 109.2808 60.1382 72.3894 174.4011 89 N 4.5918 8.6373 119.0278 54.8777 39.5672 176.4357 90 K 3.8117 7.9494 117.8540 55.8003 32.5783 174.0491 91 P 4.3022 0.0000 0.0000 62.8600 31.3042 175.9882 92 I 3.9189 8.6796 125.2026 64.0540 37.1532 175.6844 93 A 4.8171 7.3622 119.4769 51.0348 22.4274 175.0527 94 H 4.2288 8.5140 117.6312 57.0793 29.8001 173.5279 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 4 D 8.35 4.47 0.00 2.86 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 5 G 8.31 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 0.00 0.00 0.00 6 Y 8.93 4.54 0.00 3.04 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 7 F 9.08 4.45 0.00 3.02 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 8 E 7.98 4.82 0.00 1.99 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 2.30 2.29 0.00 9 P 0.00 4.22 0.00 2.13 1.94 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 10 T 8.45 3.51 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 0.07 0.00 0.00 11 Q 7.94 3.99 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 12 E 8.10 4.44 0.00 2.13 1.97 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 2.27 2.25 0.00 13 L 7.37 4.64 0.00 1.78 1.65 1.10 1.00 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 14 S 8.32 4.44 0.00 4.07 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 15 D 8.71 4.44 0.00 2.74 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 16 E 8.15 4.12 0.00 2.20 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 2.32 2.44 0.00 17 T 7.51 4.09 4.51 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 1.29 0.00 0.00 18 R 7.91 4.37 0.00 2.09 2.16 0.00 3.25 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 19 D 8.33 4.59 0.00 3.09 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 *21 H 8.11 4.61 0.00 3.22 3.59 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.32 3.71 0.00 1.92 1.83 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 23 A 8.04 3.79 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 24 I 7.55 3.58 1.82 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 1.42 0.67 0.86 0.00 0.00 25 I 7.72 3.60 1.66 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 1.60 1.30 0.79 0.00 0.00 26 S 7.95 4.24 0.00 3.84 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 27 L 7.97 3.93 0.00 1.82 1.91 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.30 3.91 0.00 2.00 1.95 0.00 3.15 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 29 E 8.24 3.94 0.00 2.17 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 0.00 2.31 2.32 0.00 30 E 8.41 3.99 0.00 1.99 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 0.00 2.57 2.53 0.00 31 L 8.21 4.00 0.00 1.85 1.72 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.41 3.89 0.00 2.13 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 0.00 2.27 2.32 0.00 33 A 8.25 3.94 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 34 V 7.88 3.61 2.29 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 1.09 0.00 0.00 1.09 0.00 0.00 35 D 8.13 4.32 0.00 2.94 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 36 L 8.32 3.93 0.00 1.47 1.52 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.06 4.33 0.00 3.16 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 38 N 8.53 4.31 0.00 3.09 2.92 0.00 0.00 7.17 7.03 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 39 Q 8.23 4.04 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 40 R 8.43 3.95 0.00 2.12 2.04 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 41 V 7.88 3.58 2.24 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 0.80 0.00 0.00 1.02 0.00 0.00 42 N 8.18 4.38 0.00 2.90 3.01 0.00 0.00 7.17 7.26 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 43 A 7.38 4.49 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 44 C 7.41 4.23 0.00 3.20 2.86 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 45 K 8.50 4.33 0.00 1.77 1.83 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.34 7.81 46 D 7.78 4.64 0.00 2.71 2.53 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 0.00 0.00 0.00 47 K 8.61 4.03 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 48 E 8.16 3.89 0.00 2.23 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 0.00 2.39 2.42 0.00 49 L 8.88 3.92 0.00 1.72 1.84 0.95 0.72 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 50 K 8.50 3.79 0.00 1.93 2.02 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.50 7.81 51 A 7.95 3.95 1.36 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 52 I 7.73 3.56 2.00 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 1.48 0.65 0.90 0.00 0.00 53 L 8.17 3.66 0.00 1.81 1.83 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.09 3.89 1.28 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 55 H 8.71 3.80 0.00 3.15 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.15 4.06 0.00 1.74 2.57 0.00 0.00 6.77 7.82 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 57 R 7.20 3.90 0.00 1.87 2.03 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 58 D 7.79 4.33 0.00 2.78 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 59 E 7.90 3.96 0.00 2.03 1.82 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 2.19 2.16 0.00 60 E 8.33 3.97 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 61 K 7.79 4.06 0.00 2.02 1.88 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 62 E 7.48 3.92 0.00 2.01 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 0.00 2.40 2.39 0.00 63 H 7.89 4.36 0.00 3.42 3.34 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.64 4.22 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 65 A 7.78 3.93 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 *67 L 7.88 4.27 0.00 1.94 1.79 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.00 4.10 0.00 1.91 1.84 1.27 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.50 4.05 0.00 2.23 2.05 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 2.39 2.45 0.00 70 W 8.10 4.05 0.00 3.34 3.43 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 71 I 8.17 3.75 1.90 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 1.64 1.12 0.35 0.00 0.00 72 R 8.29 4.28 0.00 2.24 2.62 0.00 2.97 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 73 R 7.53 4.27 0.00 1.53 1.91 0.00 3.09 0.00 0.00 3.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 74 C 7.47 4.73 0.00 2.76 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 75 D 7.83 4.64 0.00 2.58 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 76 P 0.00 4.26 0.00 2.20 2.10 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 77 A 7.87 4.04 1.40 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 0.00 0.00 78 F 8.68 4.32 0.00 3.41 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 79 D 8.20 4.25 0.00 2.78 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 80 K 8.37 3.93 0.00 2.00 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.52 7.81 81 E 7.82 4.17 0.00 1.98 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 0.00 2.52 2.51 0.00 82 L 7.65 3.82 0.00 1.69 1.58 0.83 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.25 3.95 0.00 1.64 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.72 7.81 84 D 7.63 4.33 0.00 2.64 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 85 Y 7.37 4.42 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 86 L 7.56 3.73 0.00 1.59 0.61 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.84 3.93 0.00 3.20 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 88 T 7.30 4.80 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 1.31 0.00 0.00 89 N 8.64 4.59 0.00 2.73 2.91 0.00 0.00 6.86 7.61 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 90 K 7.95 3.81 0.00 1.69 1.71 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.47 7.81 91 P 0.00 4.30 0.00 2.11 2.04 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 92 I 8.68 3.92 1.89 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 1.44 0.51 0.88 0.00 0.00 93 A 7.36 4.82 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 94 H 8.51 4.23 0.00 3.08 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.91 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.