NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2734 8.1733 121.7775 56.3697 34.1083 177.9052 20 K 3.6668 7.9000 117.1057 56.7577 32.1854 176.2598 21 N 4.1903 7.8026 114.4966 51.9688 38.4242 172.6091 22 R 5.0268 7.6652 119.3244 55.4406 31.6841 175.4102 23 I 4.5149 9.0820 127.4471 59.6842 39.6157 174.1409 24 Q 4.7880 8.8110 128.9533 54.6381 30.3350 174.8978 25 V 4.1231 8.5645 128.2379 61.6705 31.5886 175.7912 26 S 4.4758 8.6798 119.1032 58.1130 65.3938 173.2264 27 N 4.7883 8.1989 121.8668 52.2301 38.7576 175.3719 28 T 4.1609 8.4166 116.5617 63.5931 69.2688 175.6926 29 K 4.1584 8.2936 121.1781 57.9244 32.5133 177.5282 30 K 4.0646 7.5267 118.3420 55.1694 32.8016 175.2893 31 P 4.4861 0.0000 0.0000 61.9347 32.4688 176.9605 32 L 4.1660 8.8804 123.2205 58.9777 41.7819 179.7109 33 F 4.5977 8.2915 116.1569 59.6929 38.7780 177.0821 34 F 4.0529 8.1376 121.2059 61.7404 39.1416 176.7516 35 Y 3.8284 7.8314 115.6244 60.6062 37.8201 178.2500 36 V 3.5043 7.8759 119.2997 66.1778 31.6348 177.9170 37 N 4.1658 8.2203 116.5031 56.0850 38.2230 177.2292 38 L 3.6208 7.6669 121.5957 57.8422 41.8322 178.8441 39 A 3.8531 7.6395 119.8618 55.0295 18.3429 179.5075 40 K 4.2826 7.5852 116.0169 59.6985 32.0314 179.5241 41 R 4.2335 8.2519 118.5719 59.2815 29.8889 179.5344 42 Y 4.3404 8.3280 115.5635 58.5278 37.6279 178.1972 *44 Q 4.3476 8.0751 120.8620 55.7697 30.8948 176.5045 45 Q 4.0764 7.5184 114.7454 56.8327 29.3930 176.0236 46 Y 4.6398 7.9890 112.7952 57.2262 40.2274 175.0221 47 N 4.8983 8.7752 118.6618 52.4103 36.8809 173.4155 48 D 5.6136 7.5403 113.8264 51.7563 43.2059 175.4686 49 V 4.7963 8.7492 117.7606 60.5034 35.3754 173.1838 50 E 5.1430 9.3293 123.5601 54.7049 32.0605 174.6981 51 L 5.3221 9.0545 125.0145 52.9555 44.4238 175.7577 52 S 5.5504 9.3652 117.4459 55.8707 66.8870 172.7027 53 A 4.8182 8.2768 120.9813 51.3304 22.5095 174.7851 54 L 4.9058 8.4987 118.8164 54.1290 43.8700 177.6976 55 G 3.7824 8.9282 110.4803 47.7256 0.0000 175.2286 *57 A 4.2673 7.5939 119.4709 51.4160 20.6665 178.3154 58 I 3.6686 7.9135 117.1407 64.2523 37.0716 177.9570 59 A 3.9742 8.0320 121.0654 55.6361 18.0655 179.7408 60 T 3.8092 7.6949 113.7094 66.6801 68.5527 177.1103 61 V 3.5043 7.6349 119.6867 65.9074 31.4683 177.9265 62 V 3.5860 8.0133 118.1501 66.4087 31.3391 178.1649 63 T 3.8554 7.9650 115.2871 66.5476 68.2936 176.5996 64 V 3.6196 8.1245 120.5853 66.4876 31.3985 178.1307 65 T 3.8670 7.9436 115.0181 66.7372 68.3360 176.2456 66 E 3.9788 8.3880 120.5860 59.6348 29.5502 179.5570 67 I 3.7357 7.9265 119.5493 64.6234 37.2212 178.6269 68 L 4.2261 8.1577 119.6254 57.4422 41.4178 179.7751 69 K 4.0003 8.4004 118.9188 59.6864 31.9678 179.1550 70 N 4.4350 8.6916 115.7917 55.8378 38.4958 176.2270 71 N 4.8775 8.1932 115.3882 52.5804 38.9646 175.7987 72 G 3.8591 7.9559 108.2569 45.7119 0.0000 174.7661 73 F 4.6185 8.4744 120.3105 59.2626 40.1194 175.5412 74 A 5.3240 8.0842 117.4549 50.1682 22.6198 175.5577 75 V 4.5731 8.7500 119.3078 60.7560 34.7617 174.8995 76 E 4.5660 8.8978 125.3941 56.4508 29.9662 176.0861 77 K 4.4857 8.9230 122.9091 57.3656 34.9029 176.3341 78 K 4.5566 7.5910 119.1524 55.4686 35.4834 174.5504 79 I 5.2888 8.0498 126.3772 58.6452 41.6859 174.7039 *81 T 4.2991 8.3268 119.1433 63.7694 69.5479 173.6115 82 S 4.6885 8.7017 118.9569 57.4129 67.1982 172.6478 83 I 4.7939 8.2084 121.1863 60.1602 38.1802 175.8389 84 V 4.5641 8.8514 120.0390 59.5083 35.3534 174.3921 85 D 5.0704 8.5931 122.6407 53.7528 42.2056 175.8750 86 I 4.3849 8.7892 124.2178 58.8789 40.0072 174.1440 87 K 3.9794 8.9185 128.8243 56.1571 31.4736 173.7438 *94 P 4.2134 0.0000 0.0000 62.5358 32.6115 176.2745 95 V 4.3636 8.0835 112.1556 60.3016 33.8708 174.9888 96 Q 5.1383 8.5027 121.9661 54.4840 30.6895 175.2784 97 K 4.7677 8.9689 121.5555 54.3457 36.9811 175.7196 98 A 4.6485 8.5551 125.0249 51.9815 19.9505 176.3220 99 K 4.9408 9.3064 122.0973 54.6932 36.1357 174.7816 100 I 4.7406 8.6324 126.9430 59.3289 40.7469 174.1759 101 E 4.8711 8.5671 126.2087 54.9661 33.3887 174.1492 102 I 4.8483 9.0529 126.3454 59.7064 40.2792 174.8546 103 T 5.0793 9.2435 123.6355 61.8078 70.9378 173.3874 104 L 5.2761 9.0696 126.2793 53.0540 45.1577 175.9486 105 V 4.9186 8.5902 114.5506 58.9438 35.8460 175.3246 106 K 4.3111 8.0995 122.1083 57.0252 32.7351 177.4256 107 S 4.6754 9.0130 119.6420 57.2866 64.5286 175.0798 108 E 4.0684 8.8901 117.7045 58.6399 29.5370 177.8172 109 K 4.5627 7.9077 117.3976 55.8306 32.9443 178.0926 110 F 4.0200 8.0109 121.0853 61.5611 39.3331 176.2820 111 D 4.6062 8.2959 116.6004 57.4368 40.7194 178.2579 112 E 4.1395 8.0970 117.5957 59.1073 29.4809 179.1447 113 L 3.8812 7.7404 117.3722 55.0426 41.1876 178.6845 *115 A 4.1883 7.9950 123.7455 52.1954 20.3234 179.0372 116 A 4.0371 7.8756 117.4295 54.6224 18.7719 177.3268 117 A 4.1625 7.5408 123.1757 52.6110 18.3292 177.1227 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 19 K 8.17 4.27 0.00 1.79 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 20 K 7.90 3.67 0.00 1.52 1.46 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 21 N 7.80 4.19 0.00 2.72 1.71 0.00 0.00 5.82 7.66 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 22 R 7.67 5.03 0.00 1.87 2.02 0.00 3.22 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 23 I 9.08 4.51 1.85 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 0.68 0.47 1.02 0.00 0.00 24 Q 8.81 4.79 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 25 V 8.56 4.12 1.84 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 0.18 0.00 0.00 0.45 0.00 0.00 26 S 8.68 4.48 0.00 3.97 3.88 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 27 N 8.20 4.79 0.00 2.75 2.83 0.00 0.00 6.94 7.10 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 28 T 8.42 4.16 4.25 0.00 0.00 0.00 0.00 0.00 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 29 K 8.29 4.16 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.38 7.81 30 K 7.53 4.06 0.00 1.80 1.45 0.00 0.97 0.00 0.00 1.30 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 0.76 7.81 31 P 0.00 4.49 0.00 2.22 1.93 0.00 3.59 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 2.13 2.04 0.00 32 L 8.88 4.17 0.00 1.82 1.71 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.29 4.60 0.00 3.07 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 34 F 8.14 4.05 0.00 2.99 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 35 Y 7.83 3.83 0.00 3.22 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 36 V 7.88 3.50 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 0.73 0.00 0.00 1.06 0.00 0.00 37 N 8.22 4.17 0.00 2.71 2.72 0.00 0.00 6.74 7.25 0.00 0.00 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 L 7.67 3.62 0.00 1.09 1.23 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.64 3.85 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 40 K 7.59 4.28 0.00 1.84 1.88 0.00 1.33 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.16 1.39 7.81 41 R 8.25 4.23 0.00 2.01 2.08 0.00 3.36 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 42 Y 8.33 4.34 0.00 3.23 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 *44 Q 8.08 4.35 0.00 2.39 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.94 0.00 0.00 0.00 0.00 0.00 2.67 2.94 0.00 45 Q 7.52 4.08 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.73 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 46 Y 7.99 4.64 0.00 3.13 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 47 N 8.78 4.90 0.00 2.89 3.08 0.00 0.00 6.64 8.08 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 48 D 7.54 5.61 0.00 2.74 2.59 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 0.00 49 V 8.75 4.80 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 0.93 0.00 0.00 1.11 0.00 0.00 50 E 9.33 5.14 0.00 1.93 1.89 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 2.23 2.25 0.00 51 L 9.05 5.32 0.00 1.51 1.51 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.37 5.55 0.00 3.80 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 53 A 8.28 4.82 1.17 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 54 L 8.50 4.91 0.00 1.51 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.93 3.78 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 0.00 0.00 0.00 *57 A 7.59 4.27 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 58 I 7.91 3.67 1.95 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 1.43 0.73 0.90 0.00 0.00 59 A 8.03 3.97 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 60 T 7.69 3.81 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 1.04 0.00 0.00 61 V 7.63 3.50 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 1.00 0.00 0.00 0.83 0.00 0.00 62 V 8.01 3.59 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 1.07 0.00 0.00 0.98 0.00 0.00 63 T 7.96 3.86 4.39 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 1.26 0.00 0.00 64 V 8.12 3.62 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 1.03 0.00 0.00 1.04 0.00 0.00 65 T 7.94 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 66 E 8.39 3.98 0.00 2.18 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 2.35 2.58 0.00 67 I 7.93 3.74 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.08 0.88 0.00 0.00 68 L 8.16 4.23 0.00 1.75 1.83 0.92 0.45 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 69 K 8.40 4.00 0.00 1.96 1.88 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.68 1.65 7.81 70 N 8.69 4.44 0.00 2.78 2.93 0.00 0.00 7.12 7.97 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 71 N 8.19 4.88 0.00 3.09 3.03 0.00 0.00 7.11 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 72 G 7.96 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 73 F 8.47 4.62 0.00 3.11 3.40 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 74 A 8.08 5.32 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 75 V 8.75 4.57 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 1.09 0.00 0.00 0.95 0.00 0.00 76 E 8.90 4.57 0.00 2.02 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 2.28 2.26 0.00 77 K 8.92 4.49 0.00 1.71 1.83 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 78 K 7.59 4.56 0.00 1.84 1.58 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.45 7.81 79 I 8.05 5.29 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 1.36 1.45 0.91 0.00 0.00 *81 T 8.33 4.30 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 1.24 0.00 0.00 82 S 8.70 4.69 0.00 3.84 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 83 I 8.21 4.79 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 1.34 0.87 1.00 0.00 0.00 84 V 8.85 4.56 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 0.74 0.00 0.00 1.01 0.00 0.00 85 D 8.59 5.07 0.00 2.56 2.59 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 0.00 86 I 8.79 4.38 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 1.28 0.91 0.00 0.00 87 K 8.92 3.98 0.00 1.71 1.79 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *94 P 0.00 4.21 0.00 2.24 2.08 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 95 V 8.08 4.36 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 0.67 0.00 0.00 0.93 0.00 0.00 96 Q 8.50 5.14 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 97 K 8.97 4.77 0.00 1.60 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.51 7.81 98 A 8.56 4.65 1.23 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 99 K 9.31 4.94 0.00 1.74 1.59 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.50 7.81 100 I 8.63 4.74 1.86 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 1.29 0.89 0.00 0.00 101 E 8.57 4.87 0.00 1.89 1.79 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 2.28 2.31 0.00 102 I 9.05 4.85 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 1.22 0.69 0.92 0.00 0.00 103 T 9.24 5.08 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 0.00 104 L 9.07 5.28 0.00 1.54 1.55 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.59 4.92 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 0.76 0.00 0.00 0.99 0.00 0.00 106 K 8.10 4.31 0.00 1.51 1.61 0.00 1.45 0.00 0.00 0.79 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.11 7.81 107 S 9.01 4.68 0.00 3.94 4.15 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 0.00 108 E 8.89 4.07 0.00 2.11 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 2.27 2.28 0.00 109 K 7.91 4.56 0.00 1.94 1.75 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.29 7.81 110 F 8.01 4.02 0.00 3.26 3.17 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 0.00 111 D 8.30 4.61 0.00 2.75 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 0.00 112 E 8.10 4.14 0.00 2.14 2.18 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 2.41 2.32 0.00 113 L 7.74 3.88 0.00 1.38 1.20 0.01 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *115 A 8.00 4.19 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 0.00 116 A 7.88 4.04 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 0.00 117 A 7.54 4.16 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 * Residues marked with a * may have inaccurate shift predictions.